File: pair_table_lj_cut.txt

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lammps 20250204%2Bdfsg.1-2
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# Pair potential lj/cut for atom types 1 1: i,r,energy,force

lj_1_1
N 1000 R 0.1 8

1 0.1 4.7683715625e+15 5.72204588671874e+17
2 0.107907907907908 1.91306980364015e+15 2.12744720595463e+17
3 0.115815815815816 818758153812917 8.483381846517e+16
4 0.123723723723724 370624644685218 3.59469925010097e+16
5 0.131631631631632 176216636146732 1.60645251454931e+16
6 0.13953953953954 87498911727066.6 7.5246554493731e+15
7 0.147447447447447 45156780344098.8 3.67508142673229e+15
8 0.155355355355355 24124333392883.4 1.86341827990272e+15
9 0.163263263263263 13295613555109.4 977239861928053
10 0.171171171171171 7537070547533.43 528388341393121
11 0.179079079079079 4383608943257.5 293743474350791
12 0.186986986986987 2609957353176.83 167495564715195
13 0.194894894894895 1587685337537.87 97756414805415
14 0.202802802802803 985105023439.824 58289440788166.5
15 0.210710710710711 622487438523.416 35450739907939.8
16 0.218618618618619 400059094076.823 21959292546299
17 0.226526526526527 261180688238.07 13835770910410
18 0.234434434434434 173026636540.21 8856720854201.01
19 0.242342342342342 116203207576.026 5754005081973.22
20 0.25025025025025 79045182918.3383 3790376517900.41
21 0.258158158158158 54417591670.7799 2529501684512.61
22 0.266066066066066 37887469469.4508 1708785981928.77
23 0.273973973973974 26659845517.3526 1167696400722.89
24 0.281881881881882 18947994576.6846 806636336486.644
25 0.28978978978979 13594776730.5322 562951230117.615
26 0.297697697697698 9841541798.19788 396706695576.248
27 0.305605605605606 7185100531.85252 282132751009.384
28 0.313513513513514 5288021593.73702 202403978768.903
29 0.321421421421421 3921663457.88068 146412356593.302
30 0.329329329329329 2929563424.77724 106746802731.111
31 0.337237237237237 2203642812.42107 78413029447.1573
32 0.345145145145145 1668575478.1314 58013202101.0793
33 0.353053053053053 1271413998.50934 43214549094.447
34 0.360960960960961 974638014.489749 32401590254.2695
35 0.368868868868869 751452549.748062 24446294819.2204
36 0.376776776776777 582579882.335486 18554751726.9931
37 0.384684684684685 454051977.531968 14163963654.5593
38 0.392592592592593 355679114.799935 10871782769.035
39 0.4005005005005 279979344.255808 8388954628.63723
40 0.408408408408408 221424533.157439 6506035615.81756
41 0.416316316316316 175905591.154429 5070398443.00919
42 0.424224224224224 140350560.907373 3970133575.40663
43 0.432132132132132 112450083.468607 3122699974.22203
44 0.44004004004004 90458801.508926 2466870421.43271
45 0.447947947947948 73050821.1235809 1956978176.68385
46 0.455855855855856 59213900.7343495 1558781923.86649
47 0.463763763763764 48171553.132633 1246476032.71774
48 0.471671671671672 39325384.7454088 1000516434.96982
49 0.47957957957958 32212190.3203824 806030807.649113
50 0.487487487487487 26471865.071865 651649777.172213
51 0.495395395395395 21823289.2677065 528643184.320127
52 0.503303303303303 18046118.533895 430278582.40391
53 0.511211211211211 14966970.5509314 351342475.169791
54 0.519119119119119 12448900.2132394 287781329.988136
55 0.527027027027027 10383345.9224671 236431175.969894
56 0.534934934934935 8683941.15767834 194813029.214066
57 0.542842842842843 7281740.12553267 160977458.49267
58 0.550750750750751 6121519.95237291 133385997.885638
59 0.558658658658659 5158905.79978787 110820307.60639
60 0.566566566566567 4358127.52936926 92312318.5787716
61 0.574474474474475 3690262.9136975 77090309.8865711
62 0.582382382382382 3131857.08506257 64537131.7665991
63 0.59029029029029 2663833.97962174 54157722.616009
64 0.598198198198198 2270635.19772175 45553764.4973724
65 0.606106106106106 1939536.59229768 38403841.434083
66 0.614014014014014 1660104.21780749 32447854.5630435
67 0.621921921921922 1423759.91028856 27474741.6237778
68 0.62982982982983 1223433.38431815 23312769.9770402
69 0.637737737737738 1053282.81653566 19821840.5026571
70 0.645645645645646 908469.805840438 16887367.7232474
71 0.653553553553553 784977.633775452 14415399.271213
72 0.661461461461461 679464.103307017 12328712.7546324
73 0.669369369369369 589142.06787952 10563685.7073452
74 0.677277277277277 511682.19497681 9067778.77168286
75 0.685185185185185 445133.630675098 7797506.67607267
76 0.693093093093093 387859.113555471 6716798.28798504
77 0.701001001001001 338481.781337121 5795667.82903127
78 0.708908908908909 295841.462841431 5009135.58941868
79 0.716816816816817 258958.68315741 4336349.20765011
80 0.724724724724725 227004.955732786 3759866.57962482
81 0.732632632632633 199278.210647615 3265069.33647667
82 0.740540540540541 175182.428399209 2839682.05009548
83 0.748448448448448 154210.724742198 2473377.2502881
84 0.756356356356356 135931.273571328 2157450.24744893
85 0.764264264264264 119975.56864031 1884550.86645992
86 0.772172172172172 106028.616692856 1648461.68032085
87 0.78008008008008 93820.7287734827 1443914.31766366
88 0.787987987987988 83120.6365920669 1266437.0101157
89 0.795895895895896 73729.709618557 1112227.82450872
90 0.803803803803804 65477.0882938859 978049.054966574
91 0.811711711711712 58215.5811223496 861139.081256272
92 0.81961961961962 51818.1998671935 759138.672233474
93 0.827527527527528 46175.228732096 670029.258286481
94 0.835435435435435 41191.7411810631 592081.13942874
95 0.843343343343343 36785.4926553132 523809.956054305
96 0.851251251251251 32885.1294742206 463940.04326968
97 0.859159159159159 29428.6641317007 411373.529878925
98 0.867067067067067 26362.1754026781 365164.239729889
99 0.874974974974975 23638.6984671487 324495.61442312
100 0.882882882882883 21217.2758942541 288662.008937413
101 0.890790790790791 19062.1450112306 257052.820857068
102 0.898698698698699 17142.0410796926 229139.003894517
103 0.906606606606607 15429.5989514307 204461.590769304
104 0.914514514514514 13900.838589891 182621.912054221
105 0.922422422422422 12534.7221137217 163273.248627132
106 0.93033033033033 11312.771920792 146113.697741755
107 0.938238238238238 10218.7410471034 130880.067977207
108 0.946146146146146 9238.32825630316 117342.647690511
109 0.954054054054054 8358.93148441323 105300.716098839
110 0.961961961961962 7569.43421594764 94578.6865955852
111 0.96986986986987 6860.02017082306 85022.7890437927
112 0.977777777777778 6222.0123604606 76498.2121575715
113 0.985685685685686 5647.73314625485 68886.6391430934
114 0.993593593593594 5130.38242081341 62084.1199103839
115 1.0015015015015 4663.93144594303 55999.2317036472
116 1.00940940940941 4243.03023288003 50551.4871947978
117 1.01731731731732 3862.92664943471 45669.9551608001
118 1.02522522522523 3519.39569366722 41292.0640019082
119 1.03313313313313 3208.67759124919 37362.5627059964
120 1.04104104104104 2927.42355951247 33832.6175497226
121 1.04894894894895 2672.64824015717 30659.0259552697
122 1.05685685685686 2441.6879387355 27803.5315795878
123 1.06476476476476 2232.16392576377 25232.2269748114
124 1.07267267267267 2041.95015452593 22915.0320853445
125 1.08058058058058 1869.14483675823 20825.2384905988
126 1.08848848848849 1712.04539150801 18939.1107058518
127 1.0963963963964 1569.12634629231 17235.5370536542
128 1.1043043043043 1439.01982472689 15695.7236453425
129 1.11221221221221 1320.49830231528 14302.9258924122
130 1.12012012012012 1212.45935315398 13042.2127226507
131 1.12802802802803 1113.9121458369 11900.2593244969
132 1.13593593593594 1023.96547761006 10865.1648007441
133 1.14384384384384 941.817162499803 9926.29159269546
134 1.15175175175175 866.744612284194 9074.12394946681
135 1.15965965965966 798.09646928386 8300.14307388335
136 1.16756756756757 735.285167430764 7596.71688444458
137 1.17547547547548 677.780313289961 6957.00259908126
138 1.18338338338338 625.102791965512 6374.86057678246
139 1.19129129129129 576.819514381415 5844.77805267461
140 1.1991991991992 532.538732518127 5361.80157508703
141 1.20710710710711 491.905857999777 4921.47710321602
142 1.21501501501502 454.599727134937 4519.79685435551
143 1.22292292292292 420.32926225969 4153.15210299118
144 1.23083083083083 388.830485140886 3818.29123267374
145 1.23873873873874 359.863843378424 3512.28242748415
146 1.24664664664665 333.211815291552 3232.48046478641
147 1.25455455455455 308.676762766838 2976.49713630324
148 1.26246246246246 286.079005054968 2742.17488161343
149 1.27037037037037 265.255089590749 2527.56326804694
150 1.27827827827828 246.056238628881 2330.89799458925
151 1.28618618618619 228.346952883025 2150.58213561174
152 1.29409409409409 212.003755467768 1985.16937372485
153 1.302002002002 196.914061306931 1833.34900041372
154 1.30990990990991 182.975158817944 1693.9324888888
155 1.31781781781782 170.093292137078 1565.8414662248
156 1.32572572572573 158.182833437402 1448.09693176517
157 1.33363363363363 147.165536030755 1339.80958628249
158 1.34154154154154 136.969859954323 1240.17115180505
159 1.34944944944945 127.530362637222 1148.44657560853
160 1.35735735735736 118.787148036332 1063.96702385468
161 1.36526526526527 110.68536833536 986.123580934458
162 1.37317317317317 103.174772927258 914.361579912855
163 1.38108108108108 96.2092999567372 848.175497727893
164 1.38898898898899 89.7467061948461 787.104356097047
165 1.3968968968969 83.748231458446 730.72757554691
166 1.4048048048048 78.1782941801621 678.661235705409
167 1.41271271271271 73.0042150844877 630.554700069085
168 1.42062062062062 68.1959662380379 586.087567957555
169 1.42852852852853 63.7259430207067 544.966920360868
170 1.43643643643644 59.5687568134692 506.924829932435
171 1.44434434434434 55.7010464211035 471.716108532483
172 1.45225225225225 52.1013064471192 439.116268530475
173 1.46016016016016 48.7497310162589 408.919676569688
174 1.46806806806807 45.6280713994048 380.937880718704
175 1.47597597597598 42.7195062385902 354.998093914139
176 1.48388388388388 40.0085231978916 330.941818363823
177 1.49179179179179 37.4808109808707 308.623597154313
178 1.4996996996997 35.1231607583558 287.909880712325
179 1.50760760760761 32.9233761429539 268.677997025284
180 1.51551551551552 30.8701909299112 250.815215648519
181 1.52342342342342 28.9531938987476 234.217896530321
182 1.53133133133133 27.162760037408 218.790715584254
183 1.53923923923924 25.4899876112501 204.445959742336
184 1.54714714714715 23.9266405537526 191.102884943172
185 1.55505505505506 22.4650957049906 178.687131155002
186 1.56296296296296 21.0982944682524 167.130189112897
187 1.57087087087087 19.8196984951513 156.368913969192
188 1.57877877877878 18.6232490456773 146.345081523068
189 1.58668668668669 17.5033297022166 137.004983114518
190 1.59459459459459 16.4547321460073 128.29905564497
191 1.6025025025025 15.4726247311132 120.181543525824
192 1.61041041041041 14.552523615064 112.610189661302
193 1.61831831831832 13.6902662270888 105.545952846686
194 1.62622622622623 12.8819868745825 98.9527492104343
195 1.63413413413413 12.1240943063043 92.7972155517254
196 1.64204204204204 11.413251066986 87.0484926260394
197 1.64994994994995 10.7463544926989 81.6780266128288
198 1.65785785785786 10.1205192096346 76.6593871631015
199 1.66576576576577 9.53306101103064 71.968100572622
200 1.67367367367367 8.98148199793265 67.5814967600722
201 1.68158158158158 8.46345687944719 63.4785688503139
202 1.68948948948949 7.97682033718343 59.6398442721301
203 1.6973973973974 7.51955536681328 56.0472663786953
204 1.70530530530531 7.08978251715995 52.6840856885002
205 1.71321321321321 6.68574995403528 49.534759925511
206 1.72112112112112 6.30582428224547 46.5848621107912
207 1.72902902902903 5.94848206482945 43.8209960243771
208 1.73693693693694 5.61230198373985 41.2307184165943
209 1.74484484484485 5.29595759086464 38.8024674027792
210 1.75275275275275 4.99821060256439 36.5254965251087
211 1.76066066066066 4.71790469480147 34.3898140104079
212 1.76856856856857 4.45395975949801 32.3861267938386
213 1.77647647647648 4.20536658601126 30.5057889156777
214 1.78438438438438 3.97118193458427 28.7407539323064
215 1.79229229229229 3.75052397134463 27.0835310133965
216 1.8002002002002 3.54256803690452 25.5271444253583
217 1.80810810810811 3.34654272288462 24.0650961266877
218 1.81601601601602 3.16172623276097 22.6913312241429
219 1.82392392392392 2.98744300533339 21.4002060599027
220 1.83183183183183 2.82306058085451 20.1864587192121
221 1.83973973973974 2.6679866914522 19.0451817656638
222 1.84764764764765 2.52166655893814 17.9717970273661
223 1.85555555555556 2.38358038443452 16.9620322719416
224 1.86346346346346 2.25324101547833 16.0118996217201
225 1.87137137137137 2.13019177738882 15.1176755727441
226 1.87927927927928 2.01400445671732 14.2758824924064
227 1.88718718718719 1.90427742554759 13.4832714807764
228 1.8950950950951 1.80063389628606 12.7368064900356
229 1.903003003003 1.70272029738184 12.0336496050076
230 1.91091091091091 1.61020476115241 11.3711473956081
231 1.91881881881882 1.52277571556686 10.7468182592154
232 1.92672672672673 1.44014057246111 10.1583406775372
233 1.93463463463463 1.3620245052313 9.60354231856915
234 1.94254254254254 1.28816930957869 9.08038991976266
235 1.95045045045045 1.2183323413641 8.58697989357758
236 1.95835835835836 1.15228552607648 8.12152960123875
237 1.96626626626627 1.08981443483145 7.68236924477223
238 1.97417417417417 1.03071742219532 7.26793433130764
239 1.98208208208208 0.974804821478608 6.87675866721918
240 1.98998998998999 0.921898193466491 6.50746784297632
241 1.9978978978979 0.871829624849978 6.15877317260197
242 2.00580580580581 0.824441072896494 5.82946605441954
243 2.01371371371371 0.779583753151533 5.5184127223295
244 2.02162162162162 0.737117567196959 5.22454935920949
245 2.02952952952953 0.696910567707362 4.94687754619631
246 2.03743743743744 0.658838458245572 4.68446002360227
247 2.04534534534535 0.622784125422675 4.43641674105145
248 2.05325325325325 0.588637201218447 4.20192117611128
249 2.06116116116116 0.556293653415731 3.98019690225118
250 2.06906906906907 0.52565540224815 3.77051438839368
251 2.07697697697698 0.496629961495449 3.57218801364543
252 2.08488488488489 0.469130102385696 3.38457328201428
253 2.09279279279279 0.44307353877925 3.20706422304312
254 2.1007007007007 0.418382632216395 3.03909096532767
255 2.10860860860861 0.394984115509918 2.88011747084344
256 2.11651651651652 0.372808833655713 2.72963941889039
257 2.12442442442442 0.351791500919842 2.5871822292801
258 2.13233233233233 0.331870473039414 2.45229921514396
259 2.14024024024024 0.312987533547989 2.3245698564378
260 2.14814814814815 0.29508769330423 2.20359818586202
261 2.15605605605606 0.278119002365555 2.08901127951167
262 2.16396396396396 0.262032373407177 1.98045784512145
263 2.17187187187187 0.24678141594129 1.87760690128005
264 2.17977977977978 0.232322280641631 1.78014654145933
265 2.18768768768769 0.21861351312561 1.68778277714032
266 2.1955955955956 0.205615916589791 1.60023845472171
267 2.2035035035035 0.193292422735021 1.51725224127096
268 2.21141141141141 0.181607970455193 1.4385776745242
269 2.21931931931932 0.170529391798647 1.36398227286257
270 2.22722722722723 0.160025304743871 1.29324670129033
271 2.23513513513514 0.150066012361387 1.22616398971589
272 2.24304304304304 0.140623407962041 1.16253880009281
273 2.25095095095095 0.131670885858108 1.1021867392155
274 2.25885885885886 0.123183257388141 1.04493371418444
275 2.26676676676677 0.11513667187925 0.99061532776018
276 2.27467467467467 0.107508542241744 0.939076311015504
277 2.28258258258258 0.100277474910854 0.890169990871068
278 2.29049049049049 0.0934232038686522 0.843757790263751
279 2.2983983983984 0.0869265284965558 0.799708758849119
280 2.30630630630631 0.080769255024736 0.757899132280672
281 2.31421421421421 0.0749341413597782 0.718211918240005
282 2.32212212212212 0.0694048450858611 0.680536507514299
283 2.33003003003003 0.064165874447734 0.64476830853105
284 2.33793793793794 0.0592025421359353 0.610808403865784
285 2.34584584584585 0.054500921706035 0.578563227336847
286 2.35375375375375 0.0500478064742741 0.547944260392877
287 2.36166166166166 0.0458306707418736 0.518867746583874
288 2.36956956956957 0.0418376332095245 0.49125442298605
289 2.37747747747748 0.0380574224522139 0.465029267524672
290 2.38538538538539 0.0344793443326126 0.44012126120786
291 2.39329329329329 0.0310932512387979 0.416463164348568
292 2.4012012012012 0.0278895130391506 0.393991305911745
293 2.40910910910911 0.0248589896538502 0.372645385179373
294 2.41701701701702 0.0219930051485902 0.35236828497819
295 2.42492492492492 0.0192833232618953 0.333105895763272
296 2.43283283283283 0.0167221242828389 0.314806949895966
297 2.44074074074074 0.0143019832010236 0.297422865496839
298 2.44864864864865 0.0120158490554208 0.280907599293709
299 2.45655655655656 0.00985702541310973 0.265217507921592
300 2.46446446446446 0.0078191519131133 0.25031121716576
301 2.47237237237237 0.00589618681442138 0.236149498671139
302 2.48028028028028 0.00408239049094559 0.222695153671267
303 2.48818818818819 0.00237230981956788 0.209912903317984
304 2.4960960960961 0.000760763410655596 0.197769285219215
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843 6.75845845845846 -0.000204423170977463 -0.000181015944756618
844 6.76636636636637 -0.000202997531843576 -0.000179546708029485
845 6.77427427427427 -0.000201583457528468 -0.000178091046804486
846 6.78218218218218 -0.000200180841234453 -0.000176648820697354
847 6.79009009009009 -0.000198789577267644 -0.000175219890925718
848 6.797997997998 -0.000197409561025366 -0.000173804120289182
849 6.80590590590591 -0.000196040688983718 -0.000172401373149674
850 6.81381381381381 -0.000194682858685303 -0.000171011515412049
851 6.82172172172172 -0.000193335968727096 -0.000169634414504964
852 6.82962962962963 -0.000191999918748473 -0.000168269939361994
853 6.83753753753754 -0.00019067460941938 -0.000166917960403014
854 6.84544544544545 -0.000189359942428657 -0.000165578349515823
855 6.85335335335335 -0.000188055820472497 -0.000164250980038007
856 6.86126126126126 -0.000186762147243057 -0.000162935726739056
857 6.86916916916917 -0.000185478827417199 -0.00016163246580271
858 6.87707707707708 -0.000184205766645381 -0.000160341074809541
859 6.88498498498499 -0.000182942871540673 -0.000159061432719769
860 6.89289289289289 -0.00018169004966792 -0.000157793419856304
861 6.9008008008008 -0.000180447209533028 -0.000156536917888013
862 6.90870870870871 -0.000179214260572389 -0.000155291809813208
863 6.91661661661662 -0.00017799111314243 -0.000154057979943352
864 6.92452452452453 -0.000176777678509291 -0.000152835313886988
865 6.93243243243243 -0.000175573868838637 -0.000151623698533866
866 6.94034034034034 -0.000174379597185582 -0.00015042302203929
867 6.94824824824825 -0.000173194777484743 -0.000149233173808672
868 6.95615615615616 -0.000172019324540419 -0.000148054044482282
869 6.96406406406406 -0.000170853154016881 -0.000146885525920204
870 6.97197197197197 -0.000169696182428788 -0.000145727511187491
871 6.97987987987988 -0.000168548327131714 -0.00014457989453951
872 6.98778778778779 -0.000167409506312791 -0.000143442571407483
873 6.9956956956957 -0.000166279638981473 -0.000142315438384215
874 7.0036036036036 -0.000165158644960399 -0.000141198393210015
875 7.01151151151151 -0.000164046444876377 -0.000140091334758792
876 7.01941941941942 -0.000162942960151477 -0.000138994163024343
877 7.02732732732733 -0.000161848112994222 -0.000137906779106808
878 7.03523523523523 -0.000160761826390897 -0.000136829085199316
879 7.04314314314314 -0.000159684024096957 -0.000135760984574794
880 7.05105105105105 -0.000158614630628539 -0.000134702381572951
881 7.05895895895896 -0.000157553571254077 -0.000133653181587436
882 7.06686686686687 -0.000156500771986017 -0.000132613291053154
883 7.07477477477477 -0.000155456159572636 -0.000131582617433759
884 7.08268268268268 -0.000154419661489949 -0.000130561069209296
885 7.09059059059059 -0.000153391205933728 -0.000129548555864012
886 7.0984984984985 -0.000152370721811603 -0.000128544987874326
887 7.10640640640641 -0.000151358138735261 -0.000127550276696946
888 7.11431431431431 -0.00015035338701275 -0.00012656433475715
889 7.12222222222222 -0.000149356397640855 -0.000125587075437211
890 7.13013013013013 -0.00014836710229758 -0.000124618413064974
891 7.13803803803804 -0.000147385433334717 -0.000123658262902582
892 7.14594594594595 -0.000146411323770499 -0.000122706541135346
893 7.15385385385385 -0.000145444707282342 -0.000121763164860756
894 7.16176176176176 -0.000144485518199678 -0.000120828052077637
895 7.16966966966967 -0.00014353369149687 -0.000119901121675445
896 7.17757757757758 -0.000142589162786206 -0.000118982293423693
897 7.18548548548549 -0.000141651868310986 -0.000118071487961522
898 7.19339339339339 -0.000140721744938683 -0.000117168626787403
899 7.2013013013013 -0.000139798730154188 -0.000116273632248964
900 7.20920920920921 -0.000138882762053137 -0.000115386427532959
901 7.21711711711712 -0.000137973779335313 -0.000114506936655355
902 7.22502502502503 -0.000137071721298125 -0.000113635084451549
903 7.23293293293293 -0.00013617652783017 -0.000112770796566716
904 7.24084084084084 -0.000135288139404867 -0.000111913999446266
905 7.24874874874875 -0.000134406497074163 -0.00011106462032644
906 7.25665665665666 -0.000133531542462319 -0.000110222587225007
907 7.26456456456456 -0.000132663217759765 -0.000109387828932099
908 7.27247247247247 -0.000131801465717027 -0.000108560275001144
909 7.28038038038038 -0.000130946229638728 -0.000107739855739926
910 7.28828828828829 -0.000130097453377657 -0.000106926502201755
911 7.2961961961962 -0.000129255081328909 -0.000106120146176748
912 7.3041041041041 -0.000128419058424091 -0.00010532072018322
913 7.31201201201201 -0.000127589330125597 -0.000104528157459186
914 7.31991991991992 -0.000126765842420952 -0.000103742391953967
915 7.32782782782783 -0.000125948541817217 -0.000102963358319908
916 7.33573573573574 -0.000125137375335464 -0.000102190991904192
917 7.34364364364364 -0.000124332290505314 -0.000101425228740762
918 7.35155155155155 -0.000123533235359535 -0.000100666005542348
919 7.35945945945946 -0.000122740158428708 -9.99132596925869e-05
920 7.36736736736737 -0.000121953008735951 -9.91669292382449e-05
921 7.37527527527527 -0.000121171735791707 -9.84269528815391e-05
922 7.38318318318318 -0.000120396289588586 -9.76932699725529e-05
923 7.39109109109109 -0.00011962662059628 -9.69658205017477e-05
924 7.398998998999 -0.000118862679756519 -9.62445450925669e-05
925 7.40690690690691 -0.000118104418478102 -9.55293849941349e-05
926 7.41481481481481 -0.000117351788631971 -9.48202820740443e-05
927 7.42272272272272 -0.000116604742546356 -9.41171788112355e-05
928 7.43063063063063 -0.000115863233001959 -9.3420018288964e-05
929 7.43853853853854 -0.000115127213227214 -9.2728744187855e-05
930 7.44644644644645 -0.000114396636893578 -9.20433007790458e-05
931 7.45435435435435 -0.000113671458110898 -9.13636329174122e-05
932 7.46226226226226 -0.000112951631422817 -9.06896860348788e-05
933 7.47017017017017 -0.000112237111802237 -9.00214061338143e-05
934 7.47807807807808 -0.000111527854646833 -8.9358739780506e-05
935 7.48598598598599 -0.000110823815774624 -8.8701634098718e-05
936 7.49389389389389 -0.000110124951419582 -8.80500367633263e-05
937 7.5018018018018 -0.000109431218227306 -8.74038959940347e-05
938 7.50970970970971 -0.000108742573250733 -8.67631605491678e-05
939 7.51761761761762 -0.000108058973945907 -8.61277797195395e-05
940 7.52552552552553 -0.000107380378167788 -8.54977033223995e-05
941 7.53343343343343 -0.000106706744166117 -8.48728816954516e-05
942 7.54134134134134 -0.000106038030581319 -8.42532656909472e-05
943 7.54924924924925 -0.000105374196440462 -8.36388066698522e-05
944 7.55715715715716 -0.000104715201153253 -8.30294564960833e-05
945 7.56506506506507 -0.000104061004508086 -8.24251675308171e-05
946 7.57297297297297 -0.000103411566668129 -8.1825892626868e-05
947 7.58088088088088 -0.000102766848167462 -8.12315851231349e-05
948 7.58878878878879 -0.000102126809907252 -8.0642198839117e-05
949 7.5966966966967 -0.000101491413151975 -8.00576880694948e-05
950 7.6046046046046 -0.000100860619525679 -7.94780075787793e-05
951 7.61251251251251 -0.00010023439100829 -7.8903112596025e-05
952 7.62042042042042 -9.96126899319576e-05 -7.83329588096083e-05
953 7.62832832832833 -9.89954789774473e-05 -7.7767502362069e-05
954 7.63623623623624 -9.83827211705642e-05 -7.72066998450149e-05
955 7.64414414414414 -9.77743798786249e-05 -7.66505082940885e-05
956 7.65205205205205 -9.71704188069646e-05 -7.60988851839944e-05
957 7.65995995995996 -9.65708019954848e-05 -7.5551788423587e-05
958 7.66786786786787 -9.59754938152395e-05 -7.50091763510188e-05
959 7.67577577577578 -9.53844589650589e-05 -7.44710077289465e-05
960 7.68368368368368 -9.47976624682116e-05 -7.39372417397953e-05
961 7.69159159159159 -9.42150696691034e-05 -7.34078379810807e-05
962 7.6994994994995 -9.36366462300133e-05 -7.28827564607867e-05
963 7.70740740740741 -9.30623581278658e-05 -7.23619575928003e-05
964 7.71531531531532 -9.24921716510383e-05 -7.18454021924e-05
965 7.72322322322322 -9.19260533962053e-05 -7.13330514717997e-05
966 7.73113113113113 -9.13639702652162e-05 -7.08248670357458e-05
967 7.73903903903904 -9.08058894620093e-05 -7.03208108771673e-05
968 7.74694694694695 -9.02517784895584e-05 -6.98208453728782e-05
969 7.75485485485486 -8.9701605146854e-05 -6.93249332793315e-05
970 7.76276276276276 -8.91553375259182e-05 -6.88330377284245e-05
971 7.77067067067067 -8.86129440088518e-05 -6.83451222233532e-05
972 7.77857857857858 -8.8074393264914e-05 -6.78611506345182e-05
973 7.78648648648649 -8.75396542476355e-05 -6.7381087195478e-05
974 7.79439439439439 -8.70086961919617e-05 -6.69048964989511e-05
975 7.8023023023023 -8.64814886114286e-05 -6.64325434928662e-05
976 7.81021021021021 -8.59580012953689e-05 -6.59639934764596e-05
977 7.81811811811812 -8.54382043061496e-05 -6.54992120964182e-05
978 7.82602602602603 -8.49220679764395e-05 -6.50381653430694e-05
979 7.83393393393393 -8.44095629065058e-05 -6.4580819546616e-05
980 7.84184184184184 -8.39006599615426e-05 -6.41271413734158e-05
981 7.84974974974975 -8.33953302690258e-05 -6.36770978223056e-05
982 7.85765765765766 -8.28935452160989e-05 -6.32306562209681e-05
983 7.86556556556557 -8.23952764469869e-05 -6.27877842223431e-05
984 7.87347347347347 -8.19004958604378e-05 -6.23484498010801e-05
985 7.88138138138138 -8.14091756071927e-05 -6.19126212500337e-05
986 7.88928928928929 -8.09212880874834e-05 -6.14802671767996e-05
987 7.8971971971972 -8.04368059485563e-05 -6.1051356500292e-05
988 7.9051051051051 -7.99557020822248e-05 -6.06258584473621e-05
989 7.91301301301301 -7.94779496224467e-05 -6.02037425494544e-05
990 7.92092092092092 -7.90035219429292e-05 -5.97849786393051e-05
991 7.92882882882883 -7.85323926547585e-05 -5.93695368476769e-05
992 7.93673673673674 -7.80645356040565e-05 -5.89573876001339e-05
993 7.94464464464464 -7.75999248696619e-05 -5.85485016138537e-05
994 7.95255255255255 -7.71385347608366e-05 -5.81428498944764e-05
995 7.96046046046046 -7.66803398149969e-05 -5.7740403732992e-05
996 7.96836836836837 -7.62253147954692e-05 -5.73411347026625e-05
997 7.97627627627628 -7.57734346892697e-05 -5.69450146559816e-05
998 7.98418418418418 -7.53246747049088e-05 -5.6552015721669e-05
999 7.99209209209209 -7.48790102702176e-05 -5.61621103017e-05
1000 8 0 0
# Pair potential lj/cut for atom types 1 2: i,r,energy,force

lj_1_2
N 1000 R 0.1 8

1 0.1 33000199125074.6 3.96002396394391e+15
2 0.107907907907908 13239673651761.1 1.47233035342588e+15
3 0.115815815815816 5666332957471.81 587104601104606
4 0.123723723723724 2564960792802.56 248776309903356
5 0.131631631631632 1219532340370.16 111176844260240
6 0.13953953953954 605548646170.794 52075452676943.1
7 0.147447447447447 312513884255.521 25433924742836.2
8 0.155355355355355 166955841405.639 12896051009042.3
9 0.163263263263263 92014149334.6934 6763126829346.58
10 0.171171171171171 52161338747.51 3656785980687.06
11 0.179079079079079 30337364443.3151 2032892866121.1
12 0.186986986986987 18062560936.7533 1159176347029.3
13 0.194894894894895 10987785872.7493 676536737051.972
14 0.202802802802803 6817546205.4036 403400014282.015
15 0.210710710710711 4308002125.10375 245341606458.662
16 0.218618618618619 2768657123.7126 151972182590.116
17 0.226526526526527 1807530955.96889 95752240686.4238
18 0.234434434434434 1197449578.26305 61294052211.0745
19 0.242342342342342 804195980.447359 39821294546.5183
20 0.25025025025025 547039411.857287 26231746032.1872
21 0.258158158158158 376601332.914023 17505700051.448
22 0.266066066066066 262202815.58015 11825834330.6129
23 0.273973973973974 184500892.238103 8081158128.25423
24 0.281881881881882 131130296.593812 5582399585.943
25 0.28978978978979 94082892.8664471 3895949387.6465
26 0.297697697697698 68108346.8776969 2745436301.0092
27 0.305605605605606 49724275.6096518 1952515786.17614
28 0.313513513513514 36595445.2425385 1400745369.50336
29 0.321421421421421 27139515.763348 1013250577.11451
30 0.329329329329329 20273669.7704197 738742100.545791
31 0.337237237237237 15249937.3731763 542656369.259608
32 0.345145145145145 11547016.5253893 401478271.046102
33 0.353053053053053 8798479.68473261 299063596.509074
34 0.360960960960961 6744664.01836138 224232239.918074
35 0.368868868868869 5200132.84273518 169177547.7832
36 0.376776776776777 4031473.39060944 128405181.032418
37 0.384684684684685 3142019.08844013 98018865.2458626
38 0.392592592592593 2461251.51893322 75235502.4258281
39 0.4005005005005 1937391.61019675 58053285.0668003
40 0.408408408408408 1532181.82357725 45022744.391032
41 0.416316316316316 1217185.19334919 35087614.34777
42 0.424224224224224 971142.288225131 27473419.6488735
43 0.432132132132132 778071.271435978 21608932.0443387
44 0.44004004004004 625893.496493597 17070427.1329929
45 0.447947947947948 505433.220653609 13541867.8030824
46 0.455855855855856 409685.332837421 10786287.2241101
47 0.463763763763764 333276.256870716 8625098.11245503
48 0.471671671671672 272064.90804993 6923046.54027102
49 0.47957957957958 222845.765669955 5577209.49859288
50 0.487487487487487 183126.808499556 4508906.17348173
51 0.495395395395395 150962.623992308 3657720.4222582
52 0.503303303303303 124828.388301648 2977061.23233565
53 0.511211211211211 103524.271693961 2430849.43238394
54 0.519119119119119 86102.6018611097 1991033.31629527
55 0.527027027027027 71812.1287547831 1635717.32433575
56 0.534934934934935 60055.1980761184 1347746.28426683
57 0.542842842842843 50354.7108916728 1113629.73089108
58 0.550750750750751 42328.5334310898 922721.226074885
59 0.558658658658659 35669.6018933586 766589.710706357
60 0.566566566566567 30130.3978529714 638536.074906658
61 0.574474474474475 25510.7907723895 533219.991645245
62 0.582382382382382 21648.4842318513 446370.803399216
63 0.59029029029029 18411.482879576 374562.727761995
64 0.598198198198198 15692.1331838857 315039.464705948
65 0.606106106106106 13402.3941234412 265576.885570046
66 0.614014014014014 11470.0722956759 224375.181295251
67 0.621921921921922 9835.81570360731 189973.878000445
68 0.62982982982983 8450.70626153248 161184.662369395
69 0.637737737737738 7274.3262429058 137038.123050737
70 0.645645645645646 6273.20102502428 116741.400076766
71 0.653553553553553 5419.54147757147 99644.4109291666
72 0.661461461461461 4690.22563758729 85212.8404889497
73 0.669369369369369 4065.97200315344 73006.4809324346
74 0.677277277277277 3530.6666905174 62661.8153408215
75 0.685185185185185 3070.81446577804 53877.9769495759
76 0.693093093093093 2675.08976519131 46405.4008657123
77 0.701001001001001 2333.96862772853 40036.6290695936
78 0.708908908908909 2039.42626448751 34598.8419771586
79 0.716816816816817 1784.68800167613 29947.7779258458
80 0.724724724724725 1564.02372728193 25962.7711391601
81 0.732632632632633 1372.57787828644 22542.6932237919
82 0.740540540540541 1206.22852822213 19602.6262949167
83 0.748448448448448 1061.47035430545 17071.1299078742
84 0.756356356356356 935.317242187965 14887.9910321137
85 0.764264264264264 825.221073912933 13002.3678380925
86 0.772172172172172 729.003879806754 11371.2552492269
87 0.78008008008008 644.801048440302 9958.2139521125
88 0.787987987987988 571.013704729758 8732.31557384081
89 0.795895895895896 506.268703955701 7667.26558632057
90 0.803803803803804 449.384964265365 6740.672625479
91 0.811711711711712 399.345084281673 5933.43866623221
92 0.81961961961962 355.271375515785 5229.24914747465
93 0.827527527527528 316.405589167814 4614.14591324236
94 0.835435435435435 282.091739861719 4076.16889999258
95 0.843343343343343 251.761529928761 3605.05499363605
96 0.851251251251251 224.921961085668 3191.9845137046
97 0.859159159159159 201.144789024826 2829.36744392782
98 0.867067067067067 180.057533195636 2510.66288913766
99 0.874974974974975 161.335801058366 2230.2263545294
100 0.882882882882883 144.696725081354 1983.18036052888
101 0.890790790790791 129.893343151118 1765.30466166241
102 0.898698698698699 116.709780032879 1572.94296064725
103 0.906606606606607 104.957110003908 1402.92352350587
104 0.914514514514514 94.4697995599944 1252.49152739831
105 0.922422422422422 85.1026448026594 1119.2513259476
106 0.93033033033033 76.7281312742939 1001.11711003705
107 0.938238238238238 69.2341550506922 896.270685937852
108 0.946146146146146 62.5220531801796 803.125295802667
109 0.954054054054054 56.5048993688012 720.294575096299
110 0.961961961961962 51.1060273941994 646.565883217388
111 0.96986986986987 46.2577502877198 580.87736215145
112 0.977777777777778 41.9002480216081 522.2981773993
113 0.985685685685686 37.980600414422 470.011478871467
114 0.993593593593594 34.4519453383254 423.299689591753
115 1.0015015015015 31.2727451728778 381.531789113366
116 1.00940940940941 28.4061468815813 344.152308342611
117 1.01731731731732 25.819423156921 310.671794500422
118 1.02522522522523 23.4834838431567 280.658540487374
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894 7.16176176176176 -8.51288186491356e-06 -7.13042654659582e-06
895 7.16966966966967 -8.45671230432062e-06 -7.07557589504493e-06
896 7.17757757757758 -8.40097459035116e-06 -7.0212068197306e-06
897 7.18548548548549 -8.34566493355996e-06 -6.96731457076348e-06
898 7.19339339339339 -8.29077958185758e-06 -6.91389445022833e-06
899 7.2013013013013 -8.23631482010177e-06 -6.86094181155944e-06
900 7.20920920920921 -8.18226696969394e-06 -6.80845205892441e-06
901 7.21711711711712 -8.12863238818033e-06 -6.75642064661575e-06
902 7.22502502502503 -8.07540746885796e-06 -6.70484307845061e-06
903 7.23293293293293 -8.02258864038544e-06 -6.65371490717824e-06
904 7.24084084084084 -7.97017236639824e-06 -6.60303173389516e-06
905 7.24874874874875 -7.91815514512872e-06 -6.55278920746804e-06
906 7.25665665665666 -7.86653350903061e-06 -6.50298302396399e-06
907 7.26456456456456 -7.81530402440793e-06 -6.45360892608821e-06
908 7.27247247247247 -7.76446329104847e-06 -6.40466270262912e-06
909 7.28038038038038 -7.71400794186145e-06 -6.35614018791044e-06
910 7.28828828828829 -7.66393464251964e-06 -6.30803726125057e-06
911 7.2961961961962 -7.61424009110562e-06 -6.26034984642882e-06
912 7.3041041041041 -7.56492101776229e-06 -6.21307391115858e-06
913 7.31201201201201 -7.51597418434753e-06 -6.16620546656736e-06
914 7.31991991991992 -7.46739638409285e-06 -6.11974056668336e-06
915 7.32782782782783 -7.41918444126622e-06 -6.07367530792886e-06
916 7.33573573573574 -7.37133521083875e-06 -6.02800582861993e-06
917 7.34364364364364 -7.32384557815538e-06 -5.98272830847272e-06
918 7.35155155155155 -7.27671245860942e-06 -5.93783896811603e-06
919 7.35945945945946 -7.22993279732091e-06 -5.89333406861006e-06
920 7.36736736736737 -7.1835035688188e-06 -5.84920991097145e-06
921 7.37527527527527 -7.13742177672682e-06 -5.80546283570433e-06
922 7.38318318318318 -7.09168445345302e-06 -5.76208922233733e-06
923 7.39109109109109 -7.04628865988307e-06 -5.71908548896656e-06
924 7.398998998999 -7.00123148507693e-06 -5.67644809180442e-06
925 7.40690690690691 -6.95651004596933e-06 -5.63417352473411e-06
926 7.41481481481481 -6.91212148707352e-06 -5.59225831886986e-06
927 7.42272272272272 -6.86806298018859e-06 -5.55069904212267e-06
928 7.43063063063063 -6.82433172411023e-06 -5.50949229877172e-06
929 7.43853853853854 -6.78092494434474e-06 -5.46863472904102e-06
930 7.44644644644645 -6.7378398928265e-06 -5.42812300868159e-06
931 7.45435435435435 -6.69507384763862e-06 -5.38795384855886e-06
932 7.46226226226226 -6.6526241127369e-06 -5.34812399424526e-06
933 7.47017017017017 -6.61048801767692e-06 -5.30863022561804e-06
934 7.47807807807808 -6.56866291734441e-06 -5.26946935646204e-06
935 7.48598598598599 -6.52714619168858e-06 -5.23063823407766e-06
936 7.49389389389389 -6.48593524545867e-06 -5.19213373889354e-06
937 7.5018018018018 -6.4450275079435e-06 -5.15395278408431e-06
938 7.50970970970971 -6.40442043271396e-06 -5.11609231519302e-06
939 7.51761761761762 -6.36411149736855e-06 -5.07854930975834e-06
940 7.52552552552553 -6.32409820328184e-06 -5.04132077694649e-06
941 7.53343343343343 -6.28437807535579e-06 -5.00440375718773e-06
942 7.54134134134134 -6.24494866177389e-06 -4.96779532181734e-06
943 7.54924924924925 -6.20580753375827e-06 -4.9314925727213e-06
944 7.55715715715716 -6.16695228532939e-06 -4.89549264198611e-06
945 7.56506506506507 -6.12838053306866e-06 -4.8597926915532e-06
946 7.57297297297297 -6.09008991588367e-06 -4.82438991287759e-06
947 7.58088088088088 -6.05207809477614e-06 -4.78928152659071e-06
948 7.58878878878879 -6.01434275261253e-06 -4.75446478216756e-06
949 7.5966966966967 -5.97688159389721e-06 -4.71993695759789e-06
950 7.6046046046046 -5.93969234454831e-06 -4.68569535906154e-06
951 7.61251251251251 -5.90277275167602e-06 -4.65173732060775e-06
952 7.62042042042042 -5.86612058336348e-06 -4.61806020383845e-06
953 7.62832832832833 -5.82973362845013e-06 -4.58466139759553e-06
954 7.63623623623624 -5.7936096963175e-06 -4.5515383176519e-06
955 7.64414414414414 -5.75774661667752e-06 -4.51868840640641e-06
956 7.65205205205205 -5.72214223936307e-06 -4.48610913258252e-06
957 7.65995995995996 -5.68679443412103e-06 -4.45379799093068e-06
958 7.66786786786787 -5.65170109040765e-06 -4.42175250193439e-06
959 7.67577577577578 -5.61686011718615e-06 -4.38997021151986e-06
960 7.68368368368368 -5.58226944272669e-06 -4.35844869076925e-06
961 7.69159159159159 -5.54792701440858e-06 -4.32718553563745e-06
962 7.6994994994995 -5.51383079852465e-06 -4.29617836667223e-06
963 7.70740740740741 -5.4799787800879e-06 -4.26542482873802e-06
964 7.71531531531532 -5.44636896264028e-06 -4.23492259074281e-06
965 7.72322322322322 -5.41299936806364e-06 -4.20466934536866e-06
966 7.73113113113113 -5.37986803639272e-06 -4.17466280880524e-06
967 7.73903903903904 -5.34697302563038e-06 -4.14490072048687e-06
968 7.74694694694695 -5.31431241156478e-06 -4.11538084283257e-06
969 7.75485485485486 -5.28188428758859e-06 -4.08610096098936e-06
970 7.76276276276276 -5.24968676452035e-06 -4.05705888257871e-06
971 7.77067067067067 -5.21771797042765e-06 -4.02825243744598e-06
972 7.77857857857858 -5.18597605045244e-06 -3.99967947741302e-06
973 7.78648648648649 -5.15445916663816e-06 -3.97133787603365e-06
974 7.79439439439439 -5.12316549775887e-06 -3.94322552835222e-06
975 7.8023023023023 -5.09209323915024e-06 -3.91534035066496e-06
976 7.81021021021021 -5.06124060254241e-06 -3.88768028028435e-06
977 7.81811811811812 -5.03060581589473e-06 -3.86024327530626e-06
978 7.82602602602603 -5.00018712323237e-06 -3.8330273143799e-06
979 7.83393393393393 -4.96998278448458e-06 -3.80603039648057e-06
980 7.84184184184184 -4.93999107532494e-06 -3.77925054068515e-06
981 7.84974974974975 -4.91021028701322e-06 -3.75268578595026e-06
982 7.85765765765766 -4.88063872623906e-06 -3.72633419089308e-06
983 7.86556556556557 -4.85127471496737e-06 -3.70019383357489e-06
984 7.87347347347347 -4.82211659028538e-06 -3.6742628112871e-06
985 7.88138138138138 -4.79316270425144e-06 -3.64853924033988e-06
986 7.88928928928929 -4.76441142374542e-06 -3.62302125585337e-06
987 7.8971971971972 -4.73586113032082e-06 -3.59770701155128e-06
988 7.9051051051051 -4.70751022005842e-06 -3.5725946795571e-06
989 7.91301301301301 -4.67935710342157e-06 -3.5476824501926e-06
990 7.92092092092092 -4.65140020511315e-06 -3.52296853177884e-06
991 7.92882882882883 -4.6236379639339e-06 -3.49845115043948e-06
992 7.93673673673674 -4.59606883264247e-06 -3.47412854990645e-06
993 7.94464464464464 -4.56869127781696e-06 -3.44999899132801e-06
994 7.95255255255255 -4.54150377971786e-06 -3.42606075307892e-06
995 7.96046046046046 -4.51450483215267e-06 -3.40231213057305e-06
996 7.96836836836837 -4.4876929423418e-06 -3.37875143607805e-06
997 7.97627627627628 -4.46106663078608e-06 -3.35537699853234e-06
998 7.98418418418418 -4.43462443113562e-06 -3.33218716336422e-06
999 7.99209209209209 -4.40836489006011e-06 -3.30918029231307e-06
1000 8 0 0
# Pair potential lj/cut for atom types 1 3: i,r,energy,force

lj_1_3
N 1000 R 0.1 8

1 0.1 2.2973560384931e+16 2.75682724876395e+18
2 0.107907907907908 9.21698826007495e+15 1.02498381655419e+18
3 0.115815815815816 3.94469887675717e+15 4.08721263967546e+17
4 0.123723723723724 1.78563427625847e+15 1.73189189121577e+17
5 0.131631631631632 848994990473474 7.7397353575624e+16
6 0.13953953953954 421561435479165 3.62530740554755e+16
7 0.147447447447447 217561074653096 1.77061927219808e+16
8 0.155355355355355 116228745772566 8.97777205282919e+15
9 0.163263263263263 64057003334856.8 4.70824874032604e+15
10 0.171171171171171 36312890555078.2 2.54572480813183e+15
11 0.179079079079079 21119812209237.3 1.41522815290989e+15
12 0.186986986986987 12574527309947.2 806977726999406
13 0.194894894894895 7649317774885.32 470981130838460
14 0.202802802802803 4746142976799.5 280832999503069
15 0.210710710710711 2999085815670.14 170798307336127
16 0.218618618618619 1927447106808.08 105797794277132
17 0.226526526526527 1258344075851.03 66659437397646.6
18 0.234434434434434 833626174740.65 42670845989356.1
19 0.242342342342342 559856246755.678 27722255079038.1
20 0.25025025025025 380832376345.198 18261678295440.3
21 0.258158158158158 262178950256.213 12186902379812
22 0.266066066066066 182538366172.288 8232771474821.38
23 0.273973973973974 128444719346.595 5625852769931.11
24 0.281881881881882 91289736517.8745 3886299267100.85
25 0.28978978978979 65498426835.0243 2712247235875.78
26 0.297697697697698 47415685261.7819 1911296584012.7
27 0.305605605605606 34617193368.6746 1359289975556.17
28 0.313513513513514 25477238672.3399 975164137326.164
29 0.321421421421421 18894247734.2911 705401665763.966
30 0.329329329329329 14114397898.7666 514296666948.825
31 0.337237237237237 10616976153.1736 377787132122.633
32 0.345145145145145 8039068142.79271 279502612828.853
33 0.353053053053053 6125578084.55822 208204033929.773
34 0.360960960960961 4695736348.51245 156108162843.729
35 0.368868868868869 3620447198.21886 117780252435.575
36 0.376776776776777 2806832329.60674 89395312930.2009
37 0.384684684684685 2187595019.39698 68240875325.6823
38 0.392592592592593 1713642113.01401 52379428435.5284
39 0.4005005005005 1348926245.7704 40417370910.3553
40 0.408408408408408 1066813365.0186 31345622534.5352
41 0.416316316316316 847506235.036548 24428838906.1992
42 0.424224224224224 676204432.95949 19127849996.608
43 0.432132132132132 541781666.289127 15044980489.3227
44 0.44004004004004 435828951.872812 11885243103.9267
45 0.447947947947948 351958244.096729 9428619522.55437
46 0.455855855855856 285292646.641493 7510138084.81855
47 0.463763763763764 232091107.174491 6005469503.6903
48 0.471671671671672 189470613.120384 4820452136.38063
49 0.47957957957958 155199477.689266 3883432392.83711
50 0.487487487487487 127542743.44356 3139633583.47136
51 0.495395395395395 105145996.361856 2546994522.04788
52 0.503303303303303 86947633.1168167 2073078827.64988
53 0.511211211211211 72112309.7735738 1692768291.79702
54 0.519119119119119 59980234.009304 1386533311.94768
55 0.527027027027027 50028363.0366128 1139130119.13078
56 0.534934934934935 41840588.2666435 938615154.739754
57 0.542842842842843 35084732.8859543 775596201.531456
58 0.550750750750751 29494736.1190011 642661039.931475
59 0.558658658658659 24856802.2652494 533939792.653004
60 0.566566566566567 20998592.4866118 444768367.174649
61 0.574474474474475 17780760.7337007 371428661.399479
62 0.582382382382382 15090302.3542215 310947285.48471
63 0.59029029029029 12835309.5114287 260939061.428787
64 0.598198198198198 10940822.2752647 219484915.329175
65 0.606106106106106 9345535.99321481 185036281.61707
66 0.614014014014014 7999180.08930175 156340016.473071
67 0.621921921921922 6860425.05739155 132379231.261359
68 0.62982982982983 5895206.28641324 112326525.017884
69 0.637737737737738 5075377.84877579 95506905.1918637
70 0.645645645645646 4377628.27168505 81368302.5177457
71 0.653553553553553 3782604.92571024 69458056.9455954
72 0.661461461461461 3274205.00969844 59404112.6038262
73 0.669369369369369 2838999.94559703 50899937.4228343
74 0.677277277277277 2465766.89770315 43692397.2678487
75 0.685185185185185 2145106.53778381 37571980.2318907
76 0.693093093093093 1869130.42635332 32364895.4660038
77 0.701001001001001 1631204.72881576 27926671.1670814
78 0.708908908908909 1425739.6314201 24136954.6367086
79 0.716816816816817 1248015.91902607 20895278.650169
80 0.724724724724725 1094041.84297687 18117606.5456182
81 0.732632632632633 960434.734870367 15733506.3854107
82 0.740540540540541 844322.882311038 13683834.5071524
83 0.748448448448448 743264.031716541 11918832.5103709
84 0.756356356356356 655177.564719103 10396560.5623556
85 0.764264264264264 578287.943010297 9081604.89938058
86 0.772172172172172 511077.458681353 7944009.36137474
87 0.78008008008008 452246.684560871 6958390.36483795
88 0.787987987987988 400681.308640788 6103202.38803099
89 0.795895895895896 355424.27180857 5360127.20475602
90 0.803803803803804 315652.319422483 4713565.06568734
91 0.811711711711712 280656.233268061 4150210.03160849
92 0.81961961961962 249824.137899833 3658694.90271681
93 0.827527527527528 222627.379733805 3229293.81428239
94 0.835435435435435 198608.562870304 2853672.70207224
95 0.843343343343343 177371.395998264 2524679.57716478
96 0.851251251251251 158572.062684766 2236167.96576865
97 0.859159159159159 141911.875168627 1982848.02675398
98 0.867067067067067 127131.01129989 1760160.80696257
99 0.874974974974975 114003.166994868 1564171.87146793
100 0.882882882882883 102330.983725271 1391481.18458803
101 0.890790790790791 91942.1331198262 1239146.64324182
102 0.898698698698699 82685.9595353837 1104619.09789899
103 0.906606606606607 74430.5971115796 985687.054670721
104 0.914514514514514 67060.4908991211 880429.548634514
105 0.922422422422422 60474.2625896391 787175.924335925
106 0.93033033033033 54582.8705389991 704471.463570489
107 0.938238238238238 49308.0214655688 631047.970365879
108 0.946146146146146 44580.7976672786 565798.564561587
109 0.954054054054054 40340.4690404039 507756.053436265
110 0.961961961961962 36533.4637676234 456074.349492403
111 0.96986986986987 33112.4754129019 410012.48508562
112 0.977777777777778 30035.687432167 368920.843806573
113 0.985685685685686 27266.0988780449 332229.28663312
114 0.993593593593594 24770.937424412 299436.899723203
115 1.0015015015015 22521.1478291325 270103.131847961
116 1.00940940940941 20490.9456470067 243840.124139499
117 1.01731731731732 18657.4274463873 220306.064101739
118 1.02522522522523 17000.2300112803 199199.420580506
119 1.03313313313313 15501.2320588563 180253.937338301
120 1.04104104104104 14144.2928977309 163234.280636313
121 1.04894894894895 12915.0232183083 147932.251297142
122 1.05685685685686 11800.5838624425 134163.484528893
123 1.06476476476476 10789.5089821189 121764.571688578
124 1.07267267267267 9871.55047968992 110590.547446304
125 1.08058058058058 9037.54103716429 100512.69373019
126 1.08848848848849 8279.27339909604 91416.6185940527
127 1.0963963963964 7589.39388117212 83200.5739314161
128 1.1043043043043 6961.30834181619 75773.9809082089
129 1.11221221221221 6389.099083081 69056.1362274074
130 1.12012012012012 5867.45134496928 62975.0759772532
131 1.12802802802803 5391.58822850005 57466.5769395479
132 1.13593593593594 4957.21303108317 52473.2779213757
133 1.14384384384384 4560.45810627984 47943.9059862584
134 1.15175175175175 4197.83947155207 43832.594453494
135 1.15965965965966 3866.21648448226 40098.2812532878
136 1.16756756756757 3562.75599218001 36704.1777094487
137 1.17547547547548 3284.90043191052 33617.2991042421
138 1.18338338338338 3030.33942485166 30808.0494898966
139 1.19129129129129 2796.98446058531 28249.8541725072
140 1.1991991991992 2582.94631854466 25918.8341274079
141 1.20710710710711 2386.51491511062 23793.517328193
142 1.21501501501502 2206.14130218997 21854.5825996559
143 1.22292292292292 2040.42157561226 20084.6321509638
144 1.23083083083083 1888.08248015528 18467.9894205599
145 1.23873873873874 1747.96852297335 16990.5192781613
146 1.24664664664665 1619.03042910815 15639.467990032
147 1.25455455455455 1500.31479200062 14403.320668538
148 1.26246246246246 1390.95478883289 13271.6742019413
149 1.27037037037037 1290.16184540566 12235.1239007209
150 1.27827827827828 1197.2181483536 11285.1623069561
151 1.28618618618619 1111.46991404253 10414.0887973998
152 1.29409409409409 1032.32133366863 9614.92877218806
153 1.302002002002 959.229123061965 8881.36136261629
154 1.30990990990991 891.697613629049 8207.65471559818
155 1.31781781781782 829.274327880787 7588.60802151722
156 1.32572572572573 771.545989194553 7019.49954808829
157 1.33363363363363 718.13492094941 6496.04002723347
158 1.34154154154154 668.695795037426 6014.33081627939
159 1.34944944944945 622.912694065825 5570.82632025927
160 1.35735735735736 580.496455390273 5162.300219846
161 1.36526526526527 541.182268515609 4785.81510040033
162 1.37317317317317 504.727500417671 4438.69512262523
163 1.38108108108108 470.909726022348 4118.50141509511
164 1.38898898898899 439.524943464344 3823.00990411028
165 1.3968968968969 410.385955872816 3550.19132746743
166 1.4048048048048 383.320903323684 3298.19320631748
167 1.41271271271271 358.171930285628 3065.32357372883
168 1.42062062062062 334.793975391915 2850.03628025673
169 1.42852852852853 313.053671713573 2650.91771606413
170 1.43643643643644 292.828346909439 2466.67480623178
171 1.44434434434434 274.005113701001 2296.12415108578
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998 7.98418418418418 -0.00016514922262465 -0.000123850008161012
999 7.99209209209209 -0.000164173202344542 -0.000122997758302732
1000 8 0 0
# Pair potential lj/cut for atom types 1 4: i,r,energy,force

lj_1_4
N 1000 R 0.1 8

1 0.1 1.60885533098142e+16 1.93062639918088e+18
2 0.107907907907908 6.45472466938427e+15 7.17803705596789e+17
3 0.115815815815816 2.76250163613069e+15 2.86230507319432e+17
4 0.123723723723724 1.2504928164605e+15 1.212856629411e+17
5 0.131631631631632 594557435727602 5.42019359541647e+16
6 0.13953953953954 295222573487866 2.53882943908236e+16
7 0.147447447447447 152359620461977 1.2399776982841e+16
8 0.155355355355355 81395845313364.9 6.28719979285218e+15
9 0.163263263263263 44859590411186.5 3.29722121653204e+15
10 0.171171171171171 25430184211317.5 1.78278980281522e+15
11 0.179079079079079 14790359729022.4 991094681381296
12 0.186986986986987 8806033884884.7 565132435191890
13 0.194894894894895 5356873438794.37 329831548206796
14 0.202802802802803 3323758787234.08 196669413710330
15 0.210710710710711 2100281817219.15 119611309792376
16 0.218618618618619 1349805354886.04 74090972652814.5
17 0.226526526526527 881227586822.082 46682093645064.1
18 0.234434434434434 583794521412.779 29882706781248.5
19 0.242342342342342 392071430863.899 19414098724035.7
20 0.25025025025025 266699700565.237 12788787300609.7
21 0.258158158158158 183605835885.031 8534577109835.94
22 0.266066066066066 127832950958.68 5765470203848.49
23 0.273973973973974 89950773743.9737 3939825899986.72
24 0.281881881881882 63930867234.2604 2721603818612.71
25 0.28978978978979 45869024388.2289 1899406570864.29
26 0.297697697697698 33205548309.1436 1338494958394.75
27 0.305605605605606 24242671004.0553 951920686692.148
28 0.313513513513514 17841894090.6279 682914550124.273
29 0.321421421421421 13231777609.1431 493997917974.762
30 0.329329329329329 9884414026.42134 360165690594.054
31 0.337237237237237 7435144203.54997 264567066648.766
32 0.345145145145145 5629816559.68981 195737700976.316
33 0.353053053053053 4289785650.64838 145806786828.925
34 0.360960960960961 3288457182.26572 109323669370.699
35 0.368868868868869 2535424466.75334 82482355359.7077
36 0.376776776776777 1965644149.52698 62604176443.7112
37 0.384684684684685 1531987844.32875 47789570727.4106
38 0.392592592592593 1200075257.25953 36681684955.1499
39 0.4005005005005 944662156.468649 28304569916.0685
40 0.408408408408408 747096521.303213 21951559365.7595
41 0.416316316316316 593514203.912189 17107686254.1435
42 0.424224224224224 473550360.93095 13395365879.943
43 0.432132132132132 379413169.258498 10536103323.471
44 0.44004004004004 305213757.302946 8323316846.95483
45 0.447947947947948 246478530.719026 6602926024.42593
46 0.455855855855856 199792163.980205 5259400005.68344
47 0.463763763763764 162534771.335278 4205670090.77432
48 0.471671671671672 132687358.482911 3375794200.62953
49 0.47957957957958 108687059.273054 2719592809.18744
50 0.487487487487487 89318870.7012842 2198705406.35764
51 0.495395395395395 73634287.0543816 1783676241.27654
52 0.503303303303303 60889860.0491358 1451789883.95498
53 0.511211211211211 50500592.4741788 1185455873.48074
54 0.519119119119119 42004427.1649677 970997490.024077
55 0.527027027027027 35035073.6296673 797739413.886232
56 0.534934934934935 29301128.1540948 657317486.418571
57 0.542842842842843 24569965.039566 543154271.636113
58 0.550750750750751 20655260.114219 450058940.09518
59 0.558658658658659 17407290.80467 373920775.669039
60 0.566566566566567 14705367.0676807 311473481.888422
61 0.574474474474475 12451903.9391255 260113246.094756
62 0.582382382382382 10567763.5172962 217757782.891675
63 0.59029029029029 8988582.14538855 182736735.784034
64 0.598198198198198 7661864.90141482 153706164.252729
65 0.606106106106106 6544679.7469177 129581597.358219
66 0.614014014014014 5601821.88159606 109485450.071193
67 0.621921921921922 4804347.99615958 92705588.5066541
68 0.62982982982983 4128402.43552721 78662578.3045029
69 0.637737737737738 3554274.43758335 66883717.7633023
70 0.645645645645646 3065638.84040371 56982389.1978655
71 0.653553553553553 2648942.88560479 48641591.8716387
72 0.661461461461461 2292909.6902804 41600772.6979185
73 0.669369369369369 1988135.1468255 35645265.3475225
74 0.677277277277277 1726759.84273888 30597798.4201603
75 0.685185185185185 1502201.37900425 26311649.4495047
76 0.693093093093093 1308935.44114424 22665111.6598888
77 0.701001001001001 1142316.32196534 19557010.5935732
78 0.708908908908909 998429.448191957 16903062.556735
79 0.716816816816817 873969.931767547 14632909.7791848
80 0.724724724724725 766142.333520858 12687700.9172102
81 0.732632632632633 672577.75654978 11018112.0999854
82 0.740540540540541 591265.12920442 9582724.70510218
83 0.748448448448448 520494.132105728 8346692.66588845
84 0.756356356356356 458807.700871661 7280645.305326
85 0.764264264264264 404962.420207024 6359782.19084795
86 0.772172172172172 357895.434691381 5563124.88126474
87 0.78008008008008 316696.751923942 4872897.13671811
88 0.787987987987988 280586.016485498 4274010.53337906
89 0.795895895895896 248892.997838588 3753636.74009865
90 0.803803803803804 221041.169269038 3300851.189595
91 0.811711711711712 196533.864220716 2906335.6817661
92 0.81961961961962 174942.585640666 2562129.72557643
93 0.827527527527528 155897.117036717 2261422.26505935
94 0.835435435435435 139077.143905891 1998376.92881849
95 0.843343343343343 124205.143473471 1767985.15829415
96 0.851251251251251 111040.341267299 1565942.56168761
97 0.859159159159159 99373.5665370343 1388544.65075687
98 0.867067067067067 89022.8662063238 1232598.78113893
99 0.874974974974975 79829.7599653572 1095349.66106527
100 0.882882882882883 71656.0381237899 974416.240575193
101 0.890790790790791 64381.0196428629 867738.161544931
102 0.898698698698699 57899.2009162869 773530.25254404
103 0.906606606606607 52118.2368342353 690243.803449433
104 0.914514514514514 46957.2048219623 616533.562419886
105 0.922422422422422 42345.1102044459 551229.570004152
106 0.93033033033033 38219.5976660149 493313.088130604
107 0.938238238238238 34525.8389589963 441896.000650122
108 0.946146146146146 31215.5715410359 396203.161181389
109 0.954054054054054 28246.2666297713 355557.246680841
110 0.961961961961962 25580.4083741754 319365.744251469
111 0.96986986986987 23184.8685520706 287109.75653423
112 0.977777777777778 21030.3634943032 258334.359501561
113 0.985685685685686 19090.9818754259 232640.287166974
114 0.993593593593594 17343.7736546928 209676.751936683
115 1.0015015015015 15768.3918466121 189135.238132086
116 1.00940940940941 14346.7799863746 170744.130495002
117 1.01731731731732 13062.899164921 154264.059988298
118 1.02522522522523 11902.4893686343 139483.866535522
119 1.03313313313313 10852.8605926419 126217.093014048
120 1.04104104104104 9902.70982378691 114298.937251689
121 1.04894894894895 9041.96052571592 103583.599330906
122 1.05685685685686 8261.62171790364 93941.9704737432
123 1.06476476476476 7553.66413431845 85259.617412007
124 1.07267267267267 6910.91128556194 77435.0226485459
125 1.08058058058058 6326.94353891884 70378.0465607894
126 1.08848848848849 5796.01358079265 64008.5820332731
127 1.0963963963964 5312.97184138483 58255.3763546776
128 1.1043043043043 4873.20064720754 53054.9985805907
129 1.11221221221221 4472.5560273585 48350.9335331188
130 1.12012012012012 4107.31623805354 44092.7861564378
131 1.12802802802803 3774.13618978813 40235.5821357428
132 1.13593593593594 3470.00706531642 36739.1525686599
133 1.14384384384384 3192.22050663548 33567.5920977502
134 1.15175175175175 2938.33682726387 30688.7813082585
135 1.15965965965966 2706.15677394771 28073.9653989893
136 1.16756756756757 2493.69642091807 25697.3821735491
137 1.17547547547548 2299.16483116751 23535.9332975645
138 1.18338338338338 2120.94416394406 21568.8935447503
139 1.19129129129129 1957.57194666638 19777.6534278688
140 1.1991991991992 1807.72526350994 18145.4911942033
141 1.20710710710711 1670.20664265672 16657.3706715628
142 1.21501501501502 1543.93145020997 15299.7618906868
143 1.22292292292292 1427.91662153792 14060.4817923208
144 1.23083083083083 1321.27058075048 12928.5526599948
145 1.23873873873874 1223.18421649499 11894.0762093803
146 1.24664664664665 1132.92279759771 10948.1215177724
147 1.25455455455455 1049.81872555069 10082.6251977231
148 1.26246246246246 973.265032686051 9290.30241139578
149 1.27037037037037 902.709545297306 8564.56749051734
150 1.27827827827828 837.649640139849 7899.46307403992
151 1.28618618618619 777.627530824425 7289.59680454398
152 1.29409409409409 722.226027744435 6730.08473738658
153 1.302002002002 671.064721467681 6216.50071567934
154 1.30990990990991 623.796545078363 5744.83105114828
155 1.31781781781782 580.104675865417 5311.43392732594
156 1.32572572572573 539.699741096621 4913.00300869004
157 1.33363363363363 502.317296462857 4546.53479845901
158 1.34154154154154 467.715549183027 4209.29933978896
159 1.34944944944945 435.673300779679 3898.81390096955
160 1.35735735735736 405.988087214389 3612.81932565324
161 1.36526526526527 378.474496450158 3349.25876483844
162 1.37317317317317 352.962645621133 3106.25853884489
163 1.38108108108108 329.296801868415 2882.11090537617
164 1.38898898898899 307.334132571943 2675.25853440154
165 1.3968968968969 286.943572196264 2484.28051239691
166 1.4048048048048 268.004794293447 2307.87971779939
167 1.41271271271271 250.40727838791 2144.87142664964
168 1.42062062062062 234.04946252195 1994.17302258054
169 1.42852852852853 218.837973181558 1854.79469878772
170 1.43643643643644 204.686925162395 1725.8310515869
171 1.44434434434434 191.517284686841 1606.45347580133
172 1.45225225225225 179.256289754695 1495.90328168295
173 1.46016016016016 167.836922311117 1393.48546149039
174 1.46806806806807 157.197427353606 1298.56304134379
175 1.47597597597598 147.280874582005 1210.55196065718
176 1.48388388388388 138.034758627769 1128.91642740503
177 1.49179179179179 129.41063428655 1053.16470279419
178 1.4996996996997 121.363783526155 982.845273655825
179 1.50760760760761 113.85291135455 917.543375110138
180 1.51551551551552 106.839867913399 856.877829843815
181 1.52342342342342 100.289394415239 800.49817372791
182 1.53133133133133 94.1688907695045 748.082040534911
183 1.53923923923924 88.4482029471519 699.332781228088
184 1.54714714714715 83.0994283177919 653.977295727752
185 1.55505505505506 78.0967373591768 611.764057238904
186 1.56296296296296 73.4162102885265 572.461311179883
187 1.57087087087087 69.0356873001316 535.855432506135
188 1.57877877877878 64.934631215495 501.749426798794
189 1.58668668668669 61.094001462264 469.961561903138
190 1.59459459459459 57.4961383975944 440.324118174441
191 1.6025025025025 54.1246570814178 412.682246533008
192 1.61041041041041 50.9643496863369 386.892924560045
193 1.61831831831832 48.0010958043859 362.824001793104
194 1.62622622622623 45.2217799774532 340.353326215105
195 1.63413413413413 42.6142158384434 319.36794468364
196 1.64204204204204 40.1670763048875 299.763370726103
197 1.64994994994995 37.8698293162325 281.44291373855
198 1.65785785785786 35.7126786509728 264.31706417903
199 1.66576576576577 33.6865094005483 248.30292984533
200 1.67367367367367 31.7828377139517 233.323718778147
201 1.68158158158158 29.9937644606113 219.308264738506
202 1.68948948948949 28.3119324896633 206.190591576982
203 1.6973973973974 26.7304871915145 193.909513146053
204 1.70530530530531 25.2430400928567 182.408265708947
205 1.71321321321321 23.8436352392896 171.634170072015
206 1.72112112112112 22.5267181406414 161.538320915561
207 1.72902902902903 21.2871070731401 152.075301022817
208 1.73693693693694 20.1199665499607 143.202918310634
209 1.74484484484485 19.0207827875072 134.881963750386
210 1.75275275275275 17.9853410092329 127.075988435509
211 1.76066066066066 17.0097044419744 119.751098204606
212 1.76856856856857 16.0901948718028 112.875764367558
213 1.77647647647648 15.223374637374 106.420649208065
214 1.78438438438438 14.4060299487939 100.358445050522
215 1.79229229229229 13.6351554291775 94.6637257833539
216 1.8002002002002 12.9079397844622 89.3128098257555
217 1.80810810810811 12.2217525147025 84.2836336110977
218 1.81601601601602 11.5741315870817 79.5556347389491
219 1.82392392392392 10.9627719972978 75.1096440193006
220 1.83183183183183 10.3855151518582 70.9277856979344
221 1.83973973973974 9.84033900919978 66.9933852114666
222 1.84764764764765 9.32534892248597 63.2908838749552
223 1.85555555555556 8.83876913145486 59.8057599545991
224 1.86346346346346 8.37893485483933 56.5244556233593
225 1.87137137137137 7.94428493868577 53.4343093387284
226 1.87927927927928 7.53335501938958 50.5234932197007
227 1.88718718718719 7.1447711634717 47.7809550345691
228 1.8950950950951 6.77724394906457 45.1963644428021
229 1.903003003003 6.42956295678108 42.7600631631804
230 1.91091091091091 6.10059164012627 40.4630187668532
231 1.91881881881882 5.78926254789709 38.2967818182135
232 1.92672672672673 5.49457287311779 36.253446108694
233 1.93463463463463 5.21558030499279 34.3256117489281
234 1.94254254254254 4.95139916213868 32.5063509033647
235 1.95045045045045 4.70119678699601 30.7891759685191
236 1.95835835835836 4.46419018283092 29.1680100117258
237 1.96626626626627 4.23964287612681 27.6371593016378
238 1.97417417417417 4.02686198844848 26.1912877749336
239 1.98208208208208 3.82519550304171 24.8253932958033
240 1.98998998998999 3.63402971252145 23.5347855759321
241 1.9978978978979 3.45278683500664 22.3150656329285
242 2.00580580580581 3.28092278698703 21.1621066745435
243 2.01371371371371 3.11792510206361 20.0720363046812
244 2.02162162162162 2.96331098549516 19.0412199551494
245 2.02952952952953 2.81662549521291 18.0662454544142
246 2.03743743743744 2.67743984064079 17.1439086513606
247 2.04534534534535 2.54534979128191 16.2712000182564
248 2.05325325325325 2.41997418760863 15.4452921628273
249 2.06116116116116 2.30095354732654 14.6635281846114
250 2.06906906906907 2.18794876057635 13.9234108156069
251 2.07697697697698 2.08063986809383 13.2225922896946
252 2.08488488488489 1.97872491677036 12.5588648894369
253 2.09279279279279 1.88191888744847 11.9301521226559
254 2.1007007007007 1.78995269014822 11.334500484697
255 2.10860860860861 1.70257222225688 10.770071765524
256 2.11651651651652 1.61953748552471 10.2351358637754
257 2.12442442442442 1.54062175799872 9.72806407267412
258 2.13233233233233 1.46561081729314 9.24732280523056
259 2.14024024024024 1.39430221184368 8.79146772853288
260 2.14814814814815 1.32650457702296 8.35913827909845
261 2.15605605605606 1.26203699320752 7.94905253327086
262 2.16396396396396 1.20072838308567 7.56000240850995
263 2.17187187187187 1.14241694567922 7.19084917314478
264 2.17977977977978 1.08694962472316 6.8405192437528
265 2.18768768768769 1.03418160920622 6.50800025080452
266 2.1955955955956 0.98397586402306 6.192337354579
267 2.2035035035035 0.936202688825737 5.89262979462107
268 2.21141141141141 0.890739303290021 5.60802765718292
269 2.21931931931932 0.847469457130549 5.33772884617964
270 2.22722722722723 0.80628306330943 5.08097624419542
271 2.23513513513514 0.767075852985444 4.83705505101008
272 2.24304304304304 0.729749050846742 4.60529028798257
273 2.25095095095095 0.694209069558883 4.38504445743054
274 2.25885885885886 0.660367222143022 4.17571534689158
275 2.26676676676677 0.628139451176172 3.9767339688426
276 2.27467467467467 0.597446073777544 3.7875626270974
277 2.28258258258258 0.568211541411903 3.60769310169833
278 2.29049049049049 0.540364213603415 3.43664494467239
279 2.2983983983984 0.513836144711761 3.27396387953739
280 2.30630630630631 0.488562882976603 3.11922029792209
281 2.31421421421421 0.464483281087178 2.97200784710911
282 2.32212212212212 0.441539317581157 2.83194210272367
283 2.33003003003003 0.419675928420972 2.69865932117537
284 2.33793793793794 0.398840848137079 2.57181526681857
285 2.34584584584585 0.378984459966099 2.45108410913023
286 2.35375375375375 0.360059654447683 2.33615738551372
287 2.36166166166166 0.342021695977573 2.22674302562626
288 2.36956956956957 0.324828096845626 2.12256443339606
289 2.37747747747748 0.308438498316969 2.02335962314605
290 2.38538538538539 0.292814558341761 1.92888040647412
291 2.39329329329329 0.277919845504743 1.83889162675722
292 2.4012012012012 0.263719738849687 1.75317043834964
293 2.40910910910911 0.250181333236224 1.6715056277341
294 2.41701701701702 0.237273349907596 1.59369697406129
295 2.42492492492492 0.224966051967414 1.51955464667711
296 2.43283283283283 0.213231164481919 1.44889863739069
297 2.44074074074074 0.202041798941437 1.38155822537909
298 2.44864864864865 0.191372381830798 1.31737147275835
299 2.45655655655656 0.181198587073612 1.25618474897498
300 2.46446446446446 0.171497272129381 1.19785228228871
301 2.47237237237237 0.162246417535715 1.14223573672583
302 2.48028028028028 0.153425069700276 1.08920381298434
303 2.48818818818819 0.14501328675875 1.03863187186664
304 2.4960960960961 0.13699208732604 0.990401578904667
305 2.504004004004 0.129343401978079 0.944400568925105
306 2.51191191191191 0.122050027311287 0.900522129379801
307 2.51981981981982 0.115095582435685 0.858664901339284
308 2.52772772772773 0.108464467766108 0.818732597114859
309 2.53563563563564 0.102141825983913 0.780633733538477
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852 6.82962962962963 -0.000327430167343435 -0.000286283092419017
853 6.83753753753754 -0.000325175338620424 -0.00028399226675005
854 6.84544544544545 -0.000322938543086719 -0.000281722258049584
855 6.85335335335335 -0.000320719616959221 -0.000279472855385794
856 6.86126126126126 -0.000318518398113568 -0.000277243850172289
857 6.86916916916917 -0.000316334726065696 -0.00027503503613992
858 6.87707707707708 -0.000314168441953632 -0.000272846209308954
859 6.88498498498499 -0.000312019388519491 -0.000270677167961608
860 6.89289289289289 -0.000309887410091702 -0.000268527712614923
861 6.9008008008008 -0.000307772352567437 -0.000266397645993995
862 6.90870870870871 -0.000305674063395258 -0.000264286773005539
863 6.91661661661662 -0.000303592391557964 -0.000262194900711796
864 6.92452452452453 -0.000301527187555655 -0.000260121838304769
865 6.93243243243243 -0.000299478303388981 -0.000258067397080785
866 6.94034034034034 -0.000297445592542608 -0.000256031390415386
867 6.94824824824825 -0.000295428909968872 -0.000254013633738535
868 6.95615615615616 -0.00029342811207163 -0.00025201394451014
869 6.96406406406406 -0.0002914430566903 -0.000250032142195884
870 6.97197197197197 -0.0002894736030841 -0.00024806804824337
871 6.97987987987988 -0.000287519611916463 -0.000246121486058559
872 6.98778778778779 -0.000285580945239645 -0.000244192280982513
873 6.9956956956957 -0.000283657466479515 -0.00024228026026843
874 7.0036036036036 -0.00028174904042052 -0.000240385253058973
875 7.01151151151151 -0.000279855533190835 -0.00023850709036388
876 7.01941941941942 -0.000277976812247686 -0.000236645605037866
877 7.02732732732733 -0.000276112746362843 -0.00023480063175879
878 7.03523523523523 -0.000274263205608294 -0.000232972007006117
879 7.04314314314314 -0.000272428061342077 -0.000231159569039633
880 7.05105105105105 -0.000270607186194286 -0.00022936315787844
881 7.05895895895896 -0.000268800454053243 -0.000227582615280215
882 7.06686686686687 -0.00026700774005183 -0.000225817784720722
883 7.07477477477477 -0.000265228920553978 -0.000224068511373596
884 7.08268268268268 -0.000263463873141327 -0.000222334642090364
885 7.09059059059059 -0.00026171247660003 -0.000220616025380733
886 7.0984984984985 -0.000259974610907719 -0.000218912511393117
887 7.10640640640641 -0.000258250157220623 -0.000217223951895408
888 7.11431431431431 -0.000256538997860837 -0.000215550200255996
889 7.12222222222222 -0.000254841016303736 -0.000213891111425017
890 7.13013013013013 -0.000253156097165548 -0.000212246541915841
891 7.13803803803804 -0.000251484126191053 -0.000210616349786795
892 7.14594594594595 -0.000249824990241449 -0.000209000394623107
893 7.15385385385385 -0.00024817857728234 -0.000207398537519085
894 7.16176176176176 -0.000246544776371874 -0.000205810641060509
895 7.16966966966967 -0.000244923477649021 -0.000204236569307248
896 7.17757757757758 -0.000243314572321978 -0.000202676187776097
897 7.18548548548549 -0.00024171795265672 -0.000201129363423821
898 7.19339339339339 -0.000240133511965677 -0.000199595964630417
899 7.2013013013013 -0.000238561144596545 -0.000198075861182578
900 7.20920920920921 -0.000237000745921226 -0.00019656892425737
901 7.21711711711712 -0.000235452212324898 -0.000195075026406102
902 7.22502502502503 -0.000233915441195211 -0.000193594041538412
903 7.23293293293293 -0.000232390330911607 -0.000192125844906531
904 7.24084084084084 -0.000230876780834763 -0.000190670313089759
905 7.24874874874875 -0.00022937469129616 -0.000189227323979126
906 7.25665665665666 -0.000227883963587771 -0.000187796756762243
907 7.26456456456456 -0.000226404499951861 -0.000186378491908341
908 7.27247247247247 -0.000224936203570918 -0.000184972411153498
909 7.28038038038038 -0.000223478978557687 -0.000183578397486045
910 7.28828828828829 -0.000222032729945328 -0.000182196335132155
911 7.2961961961962 -0.000220597363677682 -0.000180826109541607
912 7.3041041041041 -0.00021917278659965 -0.000179467607373728
913 7.31201201201201 -0.000217758906447686 -0.000178120716483512
914 7.31991991991992 -0.000216355631840392 -0.000176785325907899
915 7.32782782782783 -0.000214962872269229 -0.000175461325852232
916 7.33573573573574 -0.000213580538089325 -0.000174148607676883
917 7.34364364364364 -0.0002122085405104 -0.000172847063884031
918 7.35155155155155 -0.000210846791587785 -0.000171556588104619
919 7.35945945945946 -0.000209495204213545 -0.000170277075085453
920 7.36736736736737 -0.00020815369210771 -0.000169008420676477
921 7.37527527527527 -0.000206822169809597 -0.00016775052181819
922 7.38318318318318 -0.000205500552669239 -0.000166503276529224
923 7.39109109109109 -0.000204188756838903 -0.000165266583894077
924 7.398998998999 -0.000202886699264713 -0.000164040344050983
925 7.40690690690691 -0.000201594297678367 -0.000162824458179949
926 7.41481481481481 -0.000200311470588938 -0.000161618828490919
927 7.42272272272272 -0.000199038137274782 -0.000160423358212099
928 7.43063063063063 -0.000197774217775529 -0.000159237951578412
929 7.43853853853854 -0.000196519632884167 -0.0001580625138201
930 7.44644644644645 -0.000195274304139217 -0.000156896951151465
931 7.45435435435435 -0.000194038153816995 -0.000155741170759743
932 7.46226226226226 -0.000192811104923959 -0.000154595080794117
933 7.47017017017017 -0.00019159308118915 -0.00015345859035486
934 7.47807807807808 -0.000190384007056707 -0.000152331609482615
935 7.48598598598599 -0.000189183807678479 -0.000151214049147799
936 7.49389389389389 -0.00018799240890671 -0.00015010582124014
937 7.5018018018018 -0.000186809737286811 -0.000149006838558338
938 7.50970970970971 -0.000185635720050212 -0.000147917014799853
939 7.51761761761762 -0.000184470285107296 -0.000146836264550814
940 7.52552552552553 -0.00018331336104041 -0.000145764503276053
941 7.53343343343343 -0.000182164877096955 -0.000144701647309257
942 7.54134134134134 -0.000181024763182555 -0.000143647613843239
943 7.54924924924925 -0.000179892949854299 -0.00014260232092033
944 7.55715715715716 -0.000178769368314064 -0.000141565687422879
945 7.56506506506507 -0.000177653950401906 -0.000140537633063874
946 7.57297297297297 -0.00017654662858953 -0.000139518078377676
947 7.58088088088088 -0.00017544733597383 -0.000138506944710858
948 7.58878878878879 -0.000174356006270504 -0.000137504154213161
949 7.5966966966967 -0.000173272573807734 -0.000136509629828554
950 7.6046046046046 -0.000172196973519945 -0.000135523295286404
951 7.61251251251251 -0.000171129140941626 -0.00013454507509275
952 7.62042042042042 -0.000170069012201222 -0.00013357489452168
953 7.62832832832833 -0.000169016524015095 -0.000132612679606818
954 7.63623623623624 -0.000167971613681552 -0.000131658357132902
955 7.64414414414414 -0.000166934219074936 -0.000130711854627473
956 7.65205205205205 -0.000165904278639786 -0.000129773100352657
957 7.65995995995996 -0.00016488173138506 -0.000128842023297044
958 7.66786786786787 -0.000163866516878421 -0.000127918553167672
959 7.67577577577578 -0.000162858575240589 -0.000127002620382095
960 7.68368368368368 -0.000161857847139751 -0.000126094156060556
961 7.69159159159159 -0.000160864273786036 -0.000125193092018242
962 7.6994994994995 -0.00015987779692605 -0.000124299360757643
963 7.70740740740741 -0.000158898358837471 -0.000123412895460994
964 7.71531531531532 -0.0001579259023237 -0.000122533629982808
965 7.72322322322322 -0.000156960370708581 -0.000121661498842495
966 7.73113113113113 -0.000156001707831164 -0.000120796437217076
967 7.73903903903904 -0.000155049858040539 -0.000119938380933977
968 7.74694694694695 -0.000154104766190715 -0.000119087266463906
969 7.75485485485486 -0.00015316637763557 -0.000118243030913822
970 7.76276276276276 -0.000152234638223837 -0.000117405612019983
971 7.77067067067067 -0.000151309494294161 -0.00011657494814107
972 7.77857857857858 -0.000150390892670202 -0.000115750978251404
973 7.78648648648649 -0.000149478780655795 -0.000114933641934231
974 7.79439439439439 -0.000148573106030158 -0.000114122879375097
975 7.8023023023023 -0.000147673817043154 -0.000113318631355291
976 7.81021021021021 -0.000146780862410613 -0.00011252083924537
977 7.81811811811812 -0.000145894191309688 -0.000111729444998761
978 7.82602602602603 -0.000145013753374277 -0.000110944391145435
979 7.83393393393393 -0.000144139498690487 -0.000110165620785656
980 7.84184184184184 -0.000143271377792148 -0.000109393077583804
981 7.84974974974975 -0.000142409341656376 -0.000108626705762272
982 7.85765765765766 -0.000141553341699185 -0.000107866450095427
983 7.86556556556557 -0.000140703329771146 -0.000107112255903651
984 7.87347347347347 -0.000139859258153091 -0.000106364069047446
985 7.88138138138138 -0.000139021079551867 -0.000105621835921609
986 7.88928928928929 -0.000138188747096131 -0.000104885503449472
987 7.8971971971972 -0.000137362214332195 -0.000104155019077217
988 7.9051051051051 -0.000136541435219913 -0.000103430330768248
989 7.91301301301301 -0.000135726364128613 -0.000102711386997633
990 7.92092092092092 -0.000134916955833073 -0.00010199813674661
991 7.92882882882883 -0.000134113165509537 -0.000101290529497157
992 7.93673673673674 -0.000133314948731781 -0.000100588515226625
993 7.94464464464464 -0.000132522261467214 -9.98920444024296e-05
994 7.95255255255255 -0.000131735060073023 -9.92010679768111e-05
995 7.96046046046046 -0.000130953301292361 -9.85155373816491e-05
996 7.96836836836837 -0.000130176942250572 -9.78354045233388e-05
997 7.97627627627628 -0.000129405940451462 -9.71606217777278e-05
998 7.98418418418418 -0.000128640253773604 -9.64911419851098e-05
999 7.99209209209209 -0.000127879840466686 -9.5826918445276e-05
1000 8 0 0
# Pair potential lj/cut for atom types 1 5: i,r,energy,force

lj_1_5
N 1000 R 0.1 8

1 0.1 1.60885533098142e+16 1.93062639918088e+18
2 0.107907907907908 6.45472466938427e+15 7.17803705596789e+17
3 0.115815815815816 2.76250163613069e+15 2.86230507319432e+17
4 0.123723723723724 1.2504928164605e+15 1.212856629411e+17
5 0.131631631631632 594557435727602 5.42019359541647e+16
6 0.13953953953954 295222573487866 2.53882943908236e+16
7 0.147447447447447 152359620461977 1.2399776982841e+16
8 0.155355355355355 81395845313364.9 6.28719979285218e+15
9 0.163263263263263 44859590411186.5 3.29722121653204e+15
10 0.171171171171171 25430184211317.5 1.78278980281522e+15
11 0.179079079079079 14790359729022.4 991094681381296
12 0.186986986986987 8806033884884.7 565132435191890
13 0.194894894894895 5356873438794.37 329831548206796
14 0.202802802802803 3323758787234.08 196669413710330
15 0.210710710710711 2100281817219.15 119611309792376
16 0.218618618618619 1349805354886.04 74090972652814.5
17 0.226526526526527 881227586822.082 46682093645064.1
18 0.234434434434434 583794521412.779 29882706781248.5
19 0.242342342342342 392071430863.899 19414098724035.7
20 0.25025025025025 266699700565.237 12788787300609.7
21 0.258158158158158 183605835885.031 8534577109835.94
22 0.266066066066066 127832950958.68 5765470203848.49
23 0.273973973973974 89950773743.9737 3939825899986.72
24 0.281881881881882 63930867234.2604 2721603818612.71
25 0.28978978978979 45869024388.2289 1899406570864.29
26 0.297697697697698 33205548309.1436 1338494958394.75
27 0.305605605605606 24242671004.0553 951920686692.148
28 0.313513513513514 17841894090.6279 682914550124.273
29 0.321421421421421 13231777609.1431 493997917974.762
30 0.329329329329329 9884414026.42134 360165690594.054
31 0.337237237237237 7435144203.54997 264567066648.766
32 0.345145145145145 5629816559.68981 195737700976.316
33 0.353053053053053 4289785650.64838 145806786828.925
34 0.360960960960961 3288457182.26572 109323669370.699
35 0.368868868868869 2535424466.75334 82482355359.7077
36 0.376776776776777 1965644149.52698 62604176443.7112
37 0.384684684684685 1531987844.32875 47789570727.4106
38 0.392592592592593 1200075257.25953 36681684955.1499
39 0.4005005005005 944662156.468649 28304569916.0685
40 0.408408408408408 747096521.303213 21951559365.7595
41 0.416316316316316 593514203.912189 17107686254.1435
42 0.424224224224224 473550360.93095 13395365879.943
43 0.432132132132132 379413169.258498 10536103323.471
44 0.44004004004004 305213757.302946 8323316846.95483
45 0.447947947947948 246478530.719026 6602926024.42593
46 0.455855855855856 199792163.980205 5259400005.68344
47 0.463763763763764 162534771.335278 4205670090.77432
48 0.471671671671672 132687358.482911 3375794200.62953
49 0.47957957957958 108687059.273054 2719592809.18744
50 0.487487487487487 89318870.7012842 2198705406.35764
51 0.495395395395395 73634287.0543816 1783676241.27654
52 0.503303303303303 60889860.0491358 1451789883.95498
53 0.511211211211211 50500592.4741788 1185455873.48074
54 0.519119119119119 42004427.1649677 970997490.024077
55 0.527027027027027 35035073.6296673 797739413.886232
56 0.534934934934935 29301128.1540948 657317486.418571
57 0.542842842842843 24569965.039566 543154271.636113
58 0.550750750750751 20655260.114219 450058940.09518
59 0.558658658658659 17407290.80467 373920775.669039
60 0.566566566566567 14705367.0676807 311473481.888422
61 0.574474474474475 12451903.9391255 260113246.094756
62 0.582382382382382 10567763.5172962 217757782.891675
63 0.59029029029029 8988582.14538855 182736735.784034
64 0.598198198198198 7661864.90141482 153706164.252729
65 0.606106106106106 6544679.7469177 129581597.358219
66 0.614014014014014 5601821.88159606 109485450.071193
67 0.621921921921922 4804347.99615958 92705588.5066541
68 0.62982982982983 4128402.43552721 78662578.3045029
69 0.637737737737738 3554274.43758335 66883717.7633023
70 0.645645645645646 3065638.84040371 56982389.1978655
71 0.653553553553553 2648942.88560479 48641591.8716387
72 0.661461461461461 2292909.6902804 41600772.6979185
73 0.669369369369369 1988135.1468255 35645265.3475225
74 0.677277277277277 1726759.84273888 30597798.4201603
75 0.685185185185185 1502201.37900425 26311649.4495047
76 0.693093093093093 1308935.44114424 22665111.6598888
77 0.701001001001001 1142316.32196534 19557010.5935732
78 0.708908908908909 998429.448191957 16903062.556735
79 0.716816816816817 873969.931767547 14632909.7791848
80 0.724724724724725 766142.333520858 12687700.9172102
81 0.732632632632633 672577.75654978 11018112.0999854
82 0.740540540540541 591265.12920442 9582724.70510218
83 0.748448448448448 520494.132105728 8346692.66588845
84 0.756356356356356 458807.700871661 7280645.305326
85 0.764264264264264 404962.420207024 6359782.19084795
86 0.772172172172172 357895.434691381 5563124.88126474
87 0.78008008008008 316696.751923942 4872897.13671811
88 0.787987987987988 280586.016485498 4274010.53337906
89 0.795895895895896 248892.997838588 3753636.74009865
90 0.803803803803804 221041.169269038 3300851.189595
91 0.811711711711712 196533.864220716 2906335.6817661
92 0.81961961961962 174942.585640666 2562129.72557643
93 0.827527527527528 155897.117036717 2261422.26505935
94 0.835435435435435 139077.143905891 1998376.92881849
95 0.843343343343343 124205.143473471 1767985.15829415
96 0.851251251251251 111040.341267299 1565942.56168761
97 0.859159159159159 99373.5665370343 1388544.65075687
98 0.867067067067067 89022.8662063238 1232598.78113893
99 0.874974974974975 79829.7599653572 1095349.66106527
100 0.882882882882883 71656.0381237899 974416.240575193
101 0.890790790790791 64381.0196428629 867738.161544931
102 0.898698698698699 57899.2009162869 773530.25254404
103 0.906606606606607 52118.2368342353 690243.803449433
104 0.914514514514514 46957.2048219623 616533.562419886
105 0.922422422422422 42345.1102044459 551229.570004152
106 0.93033033033033 38219.5976660149 493313.088130604
107 0.938238238238238 34525.8389589963 441896.000650122
108 0.946146146146146 31215.5715410359 396203.161181389
109 0.954054054054054 28246.2666297713 355557.246680841
110 0.961961961961962 25580.4083741754 319365.744251469
111 0.96986986986987 23184.8685520706 287109.75653423
112 0.977777777777778 21030.3634943032 258334.359501561
113 0.985685685685686 19090.9818754259 232640.287166974
114 0.993593593593594 17343.7736546928 209676.751936683
115 1.0015015015015 15768.3918466121 189135.238132086
116 1.00940940940941 14346.7799863746 170744.130495002
117 1.01731731731732 13062.899164921 154264.059988298
118 1.02522522522523 11902.4893686343 139483.866535522
119 1.03313313313313 10852.8605926419 126217.093014048
120 1.04104104104104 9902.70982378691 114298.937251689
121 1.04894894894895 9041.96052571592 103583.599330906
122 1.05685685685686 8261.62171790364 93941.9704737432
123 1.06476476476476 7553.66413431845 85259.617412007
124 1.07267267267267 6910.91128556194 77435.0226485459
125 1.08058058058058 6326.94353891884 70378.0465607894
126 1.08848848848849 5796.01358079265 64008.5820332731
127 1.0963963963964 5312.97184138483 58255.3763546776
128 1.1043043043043 4873.20064720754 53054.9985805907
129 1.11221221221221 4472.5560273585 48350.9335331188
130 1.12012012012012 4107.31623805354 44092.7861564378
131 1.12802802802803 3774.13618978813 40235.5821357428
132 1.13593593593594 3470.00706531642 36739.1525686599
133 1.14384384384384 3192.22050663548 33567.5920977502
134 1.15175175175175 2938.33682726387 30688.7813082585
135 1.15965965965966 2706.15677394771 28073.9653989893
136 1.16756756756757 2493.69642091807 25697.3821735491
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969 7.75485485485486 -0.00015316637763557 -0.000118243030913822
970 7.76276276276276 -0.000152234638223837 -0.000117405612019983
971 7.77067067067067 -0.000151309494294161 -0.00011657494814107
972 7.77857857857858 -0.000150390892670202 -0.000115750978251404
973 7.78648648648649 -0.000149478780655795 -0.000114933641934231
974 7.79439439439439 -0.000148573106030158 -0.000114122879375097
975 7.8023023023023 -0.000147673817043154 -0.000113318631355291
976 7.81021021021021 -0.000146780862410613 -0.00011252083924537
977 7.81811811811812 -0.000145894191309688 -0.000111729444998761
978 7.82602602602603 -0.000145013753374277 -0.000110944391145435
979 7.83393393393393 -0.000144139498690487 -0.000110165620785656
980 7.84184184184184 -0.000143271377792148 -0.000109393077583804
981 7.84974974974975 -0.000142409341656376 -0.000108626705762272
982 7.85765765765766 -0.000141553341699185 -0.000107866450095427
983 7.86556556556557 -0.000140703329771146 -0.000107112255903651
984 7.87347347347347 -0.000139859258153091 -0.000106364069047446
985 7.88138138138138 -0.000139021079551867 -0.000105621835921609
986 7.88928928928929 -0.000138188747096131 -0.000104885503449472
987 7.8971971971972 -0.000137362214332195 -0.000104155019077217
988 7.9051051051051 -0.000136541435219913 -0.000103430330768248
989 7.91301301301301 -0.000135726364128613 -0.000102711386997633
990 7.92092092092092 -0.000134916955833073 -0.00010199813674661
991 7.92882882882883 -0.000134113165509537 -0.000101290529497157
992 7.93673673673674 -0.000133314948731781 -0.000100588515226625
993 7.94464464464464 -0.000132522261467214 -9.98920444024296e-05
994 7.95255255255255 -0.000131735060073023 -9.92010679768111e-05
995 7.96046046046046 -0.000130953301292361 -9.85155373816491e-05
996 7.96836836836837 -0.000130176942250572 -9.78354045233388e-05
997 7.97627627627628 -0.000129405940451462 -9.71606217777278e-05
998 7.98418418418418 -0.000128640253773604 -9.64911419851098e-05
999 7.99209209209209 -0.000127879840466686 -9.5826918445276e-05
1000 8 0 0
# Pair potential lj/cut for atom types 2 2: i,r,energy,force

lj_2_2
N 1000 R 0.1 8

1 0.1 19999980000 2399998800000
2 0.107907907907908 8023983713.50827 892315331075.438
3 0.115815815815816 3434112346.03037 355818396537.588
4 0.123723723723724 1554506876.67745 150772345140.231
5 0.131631631631632 739102312.852213 67379327543.1169
6 0.13953953953954 366994337.316963 31560576433.9711
7 0.147447447447447 189399326.111321 15414329853.7341
8 0.155355355355355 101183371.307286 7815688028.97069
9 0.163263263263263 55764793.3566845 4098802409.18192
10 0.171171171171171 31611973.2578427 2216193576.10166
11 0.179079079079079 18385584.6066064 1232029195.30315
12 0.186986986986987 10946488.5734978 702512364.387272
13 0.194894894894895 6658871.51196021 410008932.535653
14 0.202802802802803 4131543.65183099 244475164.701541
15 0.210710710710711 2610673.97664585 148684699.938709
16 0.218618618618619 1677787.01661815 92098941.4360149
17 0.226526526526527 1095323.79331839 58027524.7740955
18 0.234434434434434 725606.330929305 37144708.9242319
19 0.242342342342342 487293.251603386 24131612.1219522
20 0.25025025025025 331458.430724036 15896047.0287379
21 0.258158158158158 228176.635231795 10607935.1738122
22 0.266066066066066 158855.419815935 7165901.76662562
23 0.273973973973974 111772.399869245 4896642.26906368
24 0.281881881881882 79433.9445090971 3382432.87280763
25 0.28978978978979 56986.9947065851 2360492.26298818
26 0.297697697697698 41249.8030732656 1663331.75293982
27 0.305605605605606 30112.0458610406 1182870.49484033
28 0.313513513513514 22158.5947405752 848542.392349847
29 0.321421421421421 16430.5853667583 613760.742664121
30 0.329329329329329 12271.8673581613 447444.104836056
31 0.337237237237237 9229.20737411032 328647.175705072
32 0.345145145145145 6986.73031822524 243120.179032804
33 0.353053053053053 5322.41174032331 181080.165183139
34 0.360960960960961 4078.92307399451 135752.435022769
35 0.368868868868869 3143.91336767651 102406.576235404
36 0.376776776776777 2436.55499142404 77713.4004624144
37 0.384684684684685 1898.28566413951 59312.1034470003
38 0.392592592592593 1486.38638445138 45516.4231048969
39 0.4005005005005 1169.4920192822 35113.5194645882
40 0.408408408408408 924.429610329183 27225.2338164425
41 0.416316316316316 733.975860113991 21211.6565419477
42 0.424224224224224 585.255685262213 16603.6156136338
43 0.432132132132132 468.591055823025 13055.0829399953
44 0.44004004004004 376.668280377634 10309.3974352348
45 0.447947947947948 303.931980919109 8175.13920507066
46 0.455855855855856 246.141462231625 6508.79025397951
47 0.463763763763764 200.044126339843 5202.19814113543
48 0.471671671671672 163.133742895649 4173.45989721321
49 0.47957957957958 133.470587919223 3360.25616601186
50 0.487487487487487 109.546937702659 2714.95080608243
51 0.495395395395395 90.1859880441807 2200.96966605309
52 0.503303303303303 74.4655327945341 1790.11119620872
53 0.511211211211211 61.6600731184715 1460.53941590405
54 0.519119119119119 51.1967120797789 1195.27907319377
55 0.527027027027027 42.6214077212078 981.082208711587
56 0.534934934934935 35.5730445488606 807.570697849686
57 0.542842842842843 29.7634318289631 666.58480404079
58 0.550750750750751 24.9618136689605 551.686198179063
59 0.558658658658659 20.9828277134741 457.777295525442
60 0.566566566566567 17.6771102543988 380.808549611174
61 0.574474474474475 14.9239399666621 317.552527697913
62 0.582382382382382 12.6254579324455 265.428890335593
63 0.59029029029029 10.702110890642 222.368321192102
64 0.598198198198198 9.08904707540014 186.706371488475
65 0.606106106106106 7.73325642819215 157.100362693263
66 0.614014014014014 6.59129441864613 132.464125215076
67 0.621921921921922 5.62746491464626 111.916580882359
68 0.62982982982983 4.81236526704912 94.7411064357778
69 0.637737737737738 4.12171807997045 80.353320148852
70 0.645645645645646 3.53543056641056 68.2754702131239
71 0.653553553553553 3.03683509962812 58.1160133260203
72 0.661461461461461 2.61207443666202 49.5532860031556
73 0.669369369369369 2.24960277268262 42.3224126622511
74 0.677277277277277 1.93977978527475 36.2047808593203
75 0.685185185185185 1.67453952866914 31.0195582674803
76 0.693093093093093 1.44711973162338 26.6168379429621
77 0.701001001001001 1.25183996326264 22.8720855987541
78 0.708908908908909 1.08391943117302 19.6816306881353
79 0.716816816816817 0.939326998480847 16.9589964233664
80 0.724724724724725 0.814657454564864 14.6319057359417
81 0.732632632632633 0.70702922741104 12.6398331696061
82 0.740540540540541 0.613999646698396 10.9319987453313
83 0.748448448448448 0.533494604118048 9.46572046147374
84 0.756356356356356 0.463750049240115 8.20505846374028
85 0.764264264264264 0.403263235337424 7.11969694788126
86 0.772172172172172 0.350752013471808 6.18402025135198
87 0.78008008008008 0.305120783409913 5.37634790137995
88 0.787987987987988 0.265431961245634 4.67830004869613
89 0.795895895895896 0.230882027611879 4.07427006824724
90 0.803803803803804 0.200781386324389 3.55098541770408
91 0.811711711711712 0.174537398593325 3.09714132226448
92 0.81961961961962 0.151640068457546 2.70309466674069
93 0.827527527527528 0.131649945560168 2.36060775527323
94 0.835435435435435 0.114187885577457 2.062633450122
95 0.843343343343343 0.0989263695801758 1.80313470736716
96 0.851251251251251 0.0855821337999778 1.5769327556481
97 0.859159159159159 0.0739099026737698 1.37957916757329
98 0.867067067067067 0.0636970522487846 1.20724789485722
99 0.874974974974975 0.0547590593496977 1.05664401188473
100 0.882882882882883 0.0469356153920591 0.924926465873316
101 0.890790790790791 0.0400873032327335 0.809642587360822
102 0.898698698698699 0.0340927516786355 0.708672490377197
103 0.906606606606607 0.0288461958022281 0.620181801926217
104 0.914514514514514 0.024255382504627 0.542581417119182
105 0.922422422422422 0.020239770208897 0.474493189066314
106 0.93033033033033 0.0167289794728903 0.414720639258884
107 0.938238238238238 0.0136614579424439 0.3622239210407
108 0.946146146146146 0.0109833286360002 0.316098391080366
109 0.954054054054054 0.00864739523748597 0.275556245779403
110 0.961961961961962 0.00661228202173897 0.239910764781949
111 0.96986986986987 0.00484168936699284 0.208562775060627
112 0.977777777777778 0.00330374862235914 0.180989008802715
113 0.985685685685686 0.00197046247835185 0.156732078457417
114 0.993593593593594 0.000817219004748 0.135391834435731
115 1.0015015015015 -0.000177630769643605 0.116617906407101
116 1.00940940940941 -0.00103314040809512 0.100103259011555
117 1.01731731731732 -0.00176608818535444 0.0855786180141755
118 1.02522522522523 -0.00239125616076577 0.0728076442278585
119 1.03313313313313 -0.00292167369369106 0.0615827505500606
120 1.04104104104104 -0.00336883012423006 0.0517214727243609
121 1.04894894894895 -0.00374286068794913 0.0430633173855701
122 1.05685685685686 -0.00405270917349605 0.0354670219432952
123 1.06476476476476 -0.00430627035240914 0.0288081702090005
124 1.07267267267267 -0.00451051479914964 0.0229771156316671
125 1.08058058058058 -0.00467159836627791 0.0178771707918884
126 1.08848848848849 -0.00479495827619535 0.0134230275939201
127 1.0963963963964 -0.00488539752973366 0.00953937754147278
128 1.1043043043043 -0.00494715910693941 0.00615970571353218
129 1.11221221221221 -0.00498399124145397 0.0032252356788174
130 1.12012012012012 -0.00499920488248444 0.000684005692492558
131 1.12802802802803 -0.00499572431372351 -0.00150994081684215
132 1.13593593593594 -0.00497613177348271 -0.00339726517306512
133 1.14384384384384 -0.00494270681200957 -0.0050139565263844
134 1.15175175175175 -0.00489746102811681 -0.00639187911596211
135 1.15965965965966 -0.00484216874585705 -0.00755925330231262
136 1.16756756756757 -0.00477839412131109 -0.00854107869132386
137 1.17547547547548 -0.0047075151081534 -0.00935950658462594
138 1.18338338338338 -0.00463074465725117 -0.01003416805153
139 1.19129129129129 -0.00454914947906214 -0.0105824631050596
140 1.1991991991992 -0.00446366665709017 -0.0110198157609279
141 1.20710710710711 -0.00437511836533491 -0.0113598991484861
142 1.21501501501502 -0.00428422491184509 -0.0116148343136911
143 1.22292292292292 -0.00419161630355796 -0.0117953658948758
144 1.23083083083083 -0.00409784250406896 -0.0119110174530316
145 1.23873873873874 -0.0040033825353824 -0.0119702288912215
146 1.24664664664665 -0.00390865255666322 -0.011980478095623
147 1.25455455455455 -0.00381401303721088 -0.0119483886674922
148 1.26246246246246 -0.00371977512702231 -0.0118798253858542
149 1.27037037037037 -0.00362620631615312 -0.0117799788404646
150 1.27827827827828 -0.0035335354634095 -0.0116534404997051
151 1.28618618618619 -0.00344195726552044 -0.0115042693252251
152 1.29409409409409 -0.00335163622968787 -0.0113360509114454
153 1.302002002002 -0.00326271020515085 -0.0111519500110148
154 1.30990990990991 -0.00317529352300433 -0.0109547572047919
155 1.31781781781782 -0.00308947978787775 -0.0107469303850548
156 1.32572572572573 -0.003005344360109 -0.0105306316417974
157 1.33363363363363 -0.00292294656266451 -0.0103077600727574
158 1.34154154154154 -0.00284233164318435 -0.0100799809770109
159 1.34944944944945 -0.00276353251811118 -0.00984875183850954
160 1.35735735735736 -0.00268657132283781 -0.00961534545890828
161 1.36526526526527 -0.00261146078913392 -0.00938087055762894
162 1.37317317317317 -0.00253820546874519 -0.00914629012063644
163 1.38108108108108 -0.00246680281996232 -0.008912437747256
164 1.38898898898899 -0.00239724417209972 -0.00868003221600526
165 1.3968968968969 -0.00232951558117769 -0.0084496904653899
166 1.4048048048048 -0.00226359858864127 -0.00822193916351095
167 1.41271271271271 -0.00219947089365304 -0.00799722502080246
168 1.42062062062062 -0.00213710694834654 -0.00777592398295166
169 1.42852852852853 -0.00207647848440463 -0.00755834942577698
170 1.43643643643644 -0.00201755497841908 -0.00734475946031763
171 1.44434434434434 -0.00196030406267931 -0.00713536344441146
172 1.45225225225225 -0.0019046918873203 -0.0069303277864248
173 1.46016016016016 -0.00185068343911976 -0.00672978111738767
174 1.46806806806807 -0.00179824282166559 -0.00653381889943948
175 1.47597597597598 -0.00174733350110731 -0.00634250753108136
176 1.48388388388388 -0.00169791852125351 -0.00615588800315086
177 1.49179179179179 -0.00164996069137447 -0.00597397915358907
178 1.4996996996997 -0.00160342274970983 -0.0057967805638741
179 1.50760760760761 -0.00155826750536095 -0.0056242751353729
180 1.51551551551552 -0.00151445796096151 -0.00545643137975252
181 1.52342342342342 -0.00147195741826487 -0.00529320545393133
182 1.53133133133133 -0.00143072956855851 -0.00513454296679213
183 1.53923923923924 -0.00139073856961266 -0.00498038058197485
184 1.54714714714715 -0.00135194911068805 -0.00483064743847919
185 1.55505505505506 -0.00131432646696536 -0.00468526640849939
186 1.56296296296296 -0.00127783654461352 -0.00454415520985581
187 1.57087087087087 -0.00124244591758422 -0.00440722738855044
188 1.57877877877878 -0.00120812185710375 -0.00427439318533493
189 1.58668668668669 -0.00117483235472927 -0.00414556029871468
190 1.59459459459459 -0.00114254613974381 -0.00402063455550543
191 1.6025025025025 -0.00111123269158094 -0.00389952049888956
192 1.61041041041041 -0.00108086224789575 -0.00378212190287512
193 1.61831831831832 -0.00105140580883189 -0.00366834222112592
194 1.62622622622623 -0.00102283513797517 -0.00355808497729592
195 1.63413413413413 -0.000995122760430317 -0.00345125410325359
196 1.64204204204204 -0.000968241958410205 -0.00334775423091271
197 1.64994994994995 -0.000942166764683603 -0.00324749094278732
198 1.65785785785786 -0.000916871954189568 -0.00315037098585269
199 1.66576576576577 -0.000892333034092047 -0.00305630245281322
200 1.67367367367367 -0.00086852623251766 -0.00296519493444887
201 1.68158158158158 -0.000845428486192179 -0.00287695964632565
202 1.68948948948949 -0.000823017427166533 -0.0027915095328107
203 1.6973973973974 -0.00080127136880126 -0.0027087593510229
204 1.70530530530531 -0.00078016929115858 -0.00262862573707235
205 1.71321321321321 -0.000759690825933655 -0.00255102725669332
206 1.72112112112112 -0.00073981624104091 -0.00247588444215255
207 1.72902902902903 -0.000720526424957132 -0.00240311981711424
208 1.73693693693694 -0.00070180287091056 -0.00233265791096417
209 1.74484484484485 -0.000683627660993912 -0.00226442526393432
210 1.75275275275275 -0.000665983450269268 -0.00219835042422522
211 1.76066066066066 -0.000648853450923794 -0.00213436393819376
212 1.76856856856857 -0.000632221416527304 -0.0020723983345583
213 1.77647647647648 -0.000616071626435567 -0.0020123881034688
214 1.78438438438438 -0.000600388870376895 -0.00195426967119636
215 1.79229229229229 -0.000585158433253992 -0.00189798137111298
216 1.8002002002002 -0.000570366080187954 -0.0018434634115573
217 1.80810810810811 -0.000555998041826945 -0.00179065784111476
218 1.81601601601602 -0.000542040999938101 -0.00173950851178064
219 1.82392392392392 -0.000528482073297712 -0.00168996104042005
220 1.83183183183183 -0.000515308803891696 -0.00164196276889092
221 1.83973973973974 -0.000502509143435635 -0.00159546272315263
222 1.84764764764765 -0.000490071440221223 -0.00155041157164401
223 1.85555555555556 -0.000477984426293927 -0.00150676158318006
224 1.86346346346346 -0.000466237204964765 -0.00146446658458533
225 1.87137137137137 -0.000454819238657528 -0.00142348191825452
226 1.87927927927928 -0.00044372033709133 -0.00138376439980586
227 1.88718718718719 -0.000432930645797202 -0.00134527227597082
228 1.8950950950951 -0.000422440634966327 -0.00130796518284389
229 1.903003003003 -0.00041224108862666 -0.0012718041045986
230 1.91091091091091 -0.000402323094143871 -0.00123675133276031
231 1.91881881881882 -0.000392678032041899 -0.00120277042611236
232 1.92672672672673 -0.000383297566137836 -0.00116982617129966
233 1.93463463463463 -0.00037417363398543 -0.00113788454418291
234 1.94254254254254 -0.000365298437621076 -0.00110691267198696
235 1.95045045045045 -0.000356664434605872 -0.00107687879627788
236 1.95835835835836 -0.000348264329357089 -0.0010477522367961
237 1.96626626626627 -0.000340091064762187 -0.00101950335616584
238 1.97417417417417 -0.000332137814068392 -0.000992103525495467
239 1.98208208208208 -0.000324397973040743 -0.000965525090877976
240 1.98998998998999 -0.000316865152381485 -0.000939741340796349
241 1.9978978978979 -0.000309533170403622 -0.000914726474434595
242 2.00580580580581 -0.000302396045951503 -0.000890455570891716
243 2.01371371371371 -0.000295447991561297 -0.000866904559292951
244 2.02162162162162 -0.000288683406854315 -0.000844050189790021
245 2.02952952952953 -0.000282096872156172 -0.00082187000543987
246 2.03743743743744 -0.000275683142334895 -0.000800342314949574
247 2.04534534534535 -0.00026943714085119 -0.000779446166273432
248 2.05325325325325 -0.000263353954014169 -0.000759161321046973
249 2.06116116116116 -0.000257428825436007 -0.000739468229841468
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967 7.73903903903904 -9.30905828795762e-08 -7.21718671631903e-08
968 7.74694694694695 -9.25218899722916e-08 -7.16577479517562e-08
969 7.75485485485486 -9.19572461145462e-08 -7.11478100042069e-08
970 7.76276276276276 -9.13966183926567e-08 -7.06420151033074e-08
971 7.77067067067067 -9.08399741936216e-08 -7.01403254195467e-08
972 7.77857857857858 -9.02872812020734e-08 -6.96427035068157e-08
973 7.78648648648649 -8.97385073972631e-08 -6.91491122981376e-08
974 7.79439439439439 -8.91936210500785e-08 -6.86595151014491e-08
975 7.8023023023023 -8.86525907200965e-08 -6.81738755954338e-08
976 7.81021021021021 -8.8115385252667e-08 -6.76921578254053e-08
977 7.81811811811812 -8.75819737760303e-08 -6.72143261992411e-08
978 7.82602602602603 -8.70523256984655e-08 -6.67403454833645e-08
979 7.83393393393393 -8.65264107054709e-08 -6.62701807987757e-08
980 7.84184184184184 -8.6004198756976e-08 -6.58037976171309e-08
981 7.84974974974975 -8.54856600845832e-08 -6.53411617568681e-08
982 7.85765765765766 -8.49707651888411e-08 -6.48822393793798e-08
983 7.86556556556557 -8.44594848365476e-08 -6.4426996985232e-08
984 7.87347347347347 -8.39517900580819e-08 -6.39754014104283e-08
985 7.88138138138138 -8.34476521447672e-08 -6.35274198227189e-08
986 7.88928928928929 -8.29470426462612e-08 -6.30830197179542e-08
987 7.8971971971972 -8.24499333679761e-08 -6.26421689164811e-08
988 7.9051051051051 -8.19562963685269e-08 -6.22048355595841e-08
989 7.91301301301301 -8.14661039572062e-08 -6.1770988105967e-08
990 7.92092092092092 -8.09793286914895e-08 -6.13405953282783e-08
991 7.92882882882883 -8.04959433745649e-08 -6.09136263096768e-08
992 7.93673673673674 -8.00159210528914e-08 -6.04900504404392e-08
993 7.94464464464464 -7.95392350137839e-08 -6.00698374146074e-08
994 7.95255255255255 -7.90658587830236e-08 -5.96529572266754e-08
995 7.96046046046046 -7.85957661224957e-08 -5.9239380168317e-08
996 7.96836836836837 -7.81289310278513e-08 -5.88290768251504e-08
997 7.97627627627628 -7.76653277261961e-08 -5.84220180735428e-08
998 7.98418418418418 -7.7204930673804e-08 -5.80181750774521e-08
999 7.99209209209209 -7.67477145538544e-08 -5.7617519285306e-08
1000 8 0 0
# Pair potential lj/cut for atom types 2 3: i,r,energy,force

lj_2_3
N 1000 R 0.1 8

1 0.1 294233097024821 3.53079718488172e+16
2 0.107907907907908 118046264496738 1.31274455641164e+16
3 0.115815815815816 50521596645299.3 5.23468374334265e+15
4 0.123723723723724 22869449973941.1 2.21811466036011e+15
5 0.131631631631632 10873474156391.6 991263970645322
6 0.13953953953954 5399133478492.17 464310006640604
7 0.147447447447447 2786405846518.9 226771454780511
8 0.155355355355355 1488595537007.74 114982504898718
9 0.163263263263263 820407757895.411 60300731376332
10 0.171171171171171 465076006662.589 32604280616436.6
11 0.179079079079079 270491195289.15 18125483916196.5
12 0.186986986986987 161047767062.96 10335337862089.9
13 0.194894894894895 97968326867.5717 6032073331852.49
14 0.202802802802803 60786024706.2088 3596757945410.45
15 0.210710710710711 38410657523.9244 2187492623968.59
16 0.218618618618619 24685687428.1292 1355000958059.28
17 0.226526526526527 16116177990.7295 853737931683.859
18 0.234434434434434 10676621763.0024 546504976790.294
19 0.242342342342342 7170325775.53382 355051494873.76
20 0.25025025025025 4877486085.14196 233885547647.185
21 0.258158158158158 3357838329.55474 156083115011.692
22 0.266066066066066 2337845846.5398 105440759864.365
23 0.273973973973974 1645044597.99184 72052770417.0783
24 0.281881881881882 1169184477.76484 49773524540.2714
25 0.28978978978979 838864027.369759 34736914270.301
26 0.297697697697698 607270650.23188 24478783110.1637
27 0.305605605605606 443354999.466675 17408991076.4995
28 0.313513513513514 326295840.599102 12489323729.05
29 0.321421421421421 241984827.441173 9034359264.56381
30 0.329329329329329 180767416.46954 6586796068.67964
31 0.337237237237237 135974605.126954 4838461102.30559
32 0.345145145145145 102958389.550681 3579690655.70436
33 0.353053053053053 78451646.7893401 2666540856.12091
34 0.360960960960961 60139182.1567675 1999328376.16213
35 0.368868868868869 46367611.4724697 1508448004.15922
36 0.376776776776777 35947403.1840881 1144911416.13811
37 0.384684684684685 28016660.2356906 873978840.399705
38 0.392592592592593 21946626.5678079 670835735.492881
39 0.4005005005005 17275629.1511024 517633654.26401
40 0.408408408408408 13662555.2380438 401448880.944285
41 0.416316316316316 10853854.0600727 312863553.885931
42 0.424224224224224 8659971.09502894 244972301.593225
43 0.432132132132132 6938407.90218905 192681936.05133
44 0.44004004004004 5581467.70697383 152214438.516099
45 0.447947947947948 4507336.67318693 120751949.20465
46 0.455855855855856 3653554.83233625 96181613.6783861
47 0.463763763763764 2972209.39412898 76911100.9702398
48 0.471671671671672 2426376.79510217 61734449.2574886
49 0.47957957957958 1987475.23038526 49733966.2369616
50 0.487487487487487 1633284.67668737 40208108.6051956
51 0.495395395395395 1346458.85447428 32618185.3284358
52 0.503303303303303 1113401.60212441 26548773.8148411
53 0.511211211211211 923414.529098743 21678177.9422586
54 0.519119119119119 768047.583390304 17756276.8179675
55 0.527027027027027 640602.099977878 14587839.6684514
56 0.534934934934935 535748.945902989 12019902.5889087
57 0.542842842842843 449233.920892624 9932177.49996089
58 0.550750750750751 377649.585767948 8229734.74199216
59 0.558658658658659 318257.869139781 6837397.86838461
60 0.566566566566567 268851.643665297 5695433.23818087
61 0.574474474474475 227646.324480126 4756222.74398274
62 0.582382382382382 193194.683240246 3981685.97823383
63 0.59029029029029 164319.679620373 3341275.8845412
64 0.598198198198198 140061.325420527 2810414.88814453
65 0.606106106106106 119634.515291074 2369270.57443607
66 0.614014014014014 102395.456619147 2001794.0354396
67 0.621921921921922 87814.8641334634 1694962.10913216
68 0.62982982982983 75456.4929738455 1438178.41732901
69 0.637737737737738 64959.8976710907 1222798.48393888
70 0.645645645645646 56026.5463935528 1041752.11342808
71 0.653553553553553 48408.6069915814 889242.242259792
72 0.661461461461461 41899.8666669664 760504.100124778
73 0.669369369369369 36328.3602403428 651612.073805045
74 0.677277277277277 31550.3703722615 559324.410101153
75 0.685185185185185 27445.5323417388 480958.017745753
76 0.693093093093093 23912.8304022619 414287.276867269
77 0.701001001001001 20867.3156193822 357462.048415353
78 0.708908908908909 18237.4089851107 308941.078684567
79 0.716816816816817 15962.6804617794 267437.779490687
80 0.724724724724725 13992.0159486942 231875.981492662
81 0.732632632632633 12282.1011664261 201353.744087234
82 0.740540540540541 10796.1650329398 175113.689080889
83 0.748448448448448 9502.93597894589 152518.629238643
84 0.756356356356356 8375.77337750984 133031.504067847
85 0.764264264264264 7391.9432852142 116198.827209729
86 0.772172172172172 6532.01335552113 101637.003009515
87 0.78008008008008 5779.34636287624 89020.9923590659
88 0.787987987987988 5119.67548487999 78074.9061272539
89 0.795895895895896 4540.74750113636 68564.1834147739
90 0.803803803803804 4032.02251761323 60289.0754274259
91 0.811711711711712 3584.42082325428 53079.2070595234
92 0.81961961961962 3190.10911803441 46789.0297716372
93 0.827527527527528 2842.31968819886 41294.0129799104
94 0.835435435435435 2535.19720087814 36487.4484932358
95 0.843343343343343 2263.66869150758 32277.7647703565
96 0.851251251251251 2023.33305967099 28586.2659035443
97 0.859159159159159 1810.36700134447 25345.2250544015
98 0.867067067067067 1621.44481167741 22496.2742001127
99 0.874974974974975 1453.6699115836 19989.0420008003
100 0.882882882882883 1304.51629910127 17779.9997775282
101 0.890790790790791 1171.77841539686 15831.4823242042
102 0.898698698698699 1053.52815577619 14110.8558304186
103 0.906606606606607 948.077956579516 12589.8097809134
104 0.914514514514514 853.949056293935 11243.7534951622
105 0.922422422422422 769.844169291717 10051.3011190683
106 0.93033033033033 694.623927959647 8993.83149540935
107 0.938238238238238 627.286547459923 8055.11151443845
108 0.946146146146146 566.950250121174 7220.97335789171
109 0.954054054054054 512.838056112129 6479.03756150518
110 0.961961961961962 464.264605761526 5818.475084625
111 0.96986986986987 420.624728447115 5229.80263302207
112 0.977777777777778 381.383514870157 4704.70636749042
113 0.985685685685686 346.067684995139 4235.88987498033
114 0.993593593593594 314.258073995811 3816.94290464088
115 1.0015015015015 285.583084065496 3442.2278978542
116 1.00940940940941 259.712971637882 3106.78178539686
117 1.01731731731732 236.354858022817 2806.23089974921
118 1.02522522522523 215.24836719125 2536.71716749402
119 1.03313313313313 196.161807864866 2294.83401502157
120 1.04104104104104 178.888828532164 2077.57064815411
121 1.04894894894895 163.245483820597 1882.26355929767
122 1.05685685685686 149.06765905401 1706.55427973495
123 1.06476476476476 136.208807026628 1548.35253421979
124 1.07267267267267 124.537957207436 1405.8040739147
125 1.08058058058058 113.937962902252 1277.26256511262
126 1.08848848848849 104.303956472603 1161.26499777556
127 1.0963963963964 95.54198664853 1056.51015195668
128 1.1043043043043 87.5678153683706 961.839723542848
129 1.11221221221221 80.3058545101209 876.221765059776
130 1.12012012012012 73.6882254124632 798.736143871142
131 1.12802802802803 67.6539262752525 728.561760116756
132 1.13593593593594 62.1480944273403 664.965301139232
133 1.14384384384384 57.1213520950442 607.291338761407
134 1.15175175175175 52.5292257324617 554.953601292859
135 1.15965965965966 48.331630215164 507.427274152874
136 1.16756756756757 44.4924102772684 464.242202000782
137 1.17547547547548 40.9789325105505 424.976881690012
138 1.18338338338338 37.7617220619821 389.253149573382
139 1.19129129129129 34.814138879155 356.73147899483
140 1.1991991991992 32.1120889754318 327.106814472446
141 1.20710710710711 29.6337667303837 300.104878336036
142 1.21501501501502 27.3594247165163 275.478893624044
143 1.22292292292292 25.2711679593878 253.006674035927
144 1.23083083083083 23.3527699027075 232.488037819652
145 1.23873873873874 21.5895076695682 213.742507772862
146 1.24664664664665 19.9680144913723 196.607264155551
147 1.25455455455455 18.4761474222703 180.935321342681
148 1.26246246246246 17.1028686733907 166.593902565179
149 1.27037037037037 15.8381390915495 153.462990164441
150 1.27827827827828 14.6728224747696 141.4340314771
151 1.28618618618619 13.5985995646522 130.408782823426
152 1.29409409409409 12.6078906858968 120.298276137892
153 1.302002002002 11.6937861182159 111.021894591583
154 1.30990990990991 10.8499833874146 102.50654514581
155 1.31781781781782 10.0707307521411 94.6859173727972
156 1.32572572572573 9.35077624218307 87.4998191069601
157 1.33363363363363 8.68532167445016 80.8935805704377
158 1.34154154154154 8.06998113502215 74.8175195676579
159 1.34944944944945 7.50074347081757 69.2264611817497
160 1.35735735735736 6.97393838338987 64.0793061447091
161 1.36526526526527 6.48620576081111 59.338642705432
162 1.37317317317317 6.03446792221058 54.9703973957614
163 1.38108108108108 5.61590448385671 50.9435206037924
164 1.38898898898899 5.22792958620202 47.2297033139334
165 1.3968968968969 4.86817124849359 43.8031217717535
166 1.4048048048048 4.53445264176382 40.6402071846097
167 1.41271271271271 4.2247750926008 37.7194378818887
168 1.42062062062062 3.93730264935098 35.0211516361722
169 1.42852852852853 3.67034805959119 32.5273760928919
170 1.43643643643644 3.42236002305613 30.2216754747576
171 1.44434434434434 3.19191159792427 28.0890119216117
172 1.45225225225225 2.97768965063259 26.1156199992285
173 1.46016016016016 2.77848525036693 24.288893064394
174 1.46806806806807 2.59318491920341 22.5972803105792
175 1.47597597597598 2.42076265768164 21.0301934405665
176 1.48388388388388 2.26027267348424 19.5779220212022
177 1.49179179179179 2.1108427479774 18.2315566725267
178 1.4996996996997 1.97166818172231 16.9829193301966
179 1.50760760760761 1.84200626577396 15.8244998975161
180 1.51551551551552 1.72117123071141 14.7493986725852
181 1.52342342342342 1.60852962995438 13.7512739979417
182 1.53133133133133 1.50349611806742 12.8242946354386
183 1.53923923923924 1.40552958848622 11.9630964186724
184 1.54714714714715 1.31412963846169 11.1627427796859
185 1.55505505505506 1.22883333204636 10.4186887864758
186 1.56296296296296 1.14921223467828 9.72674836354137
187 1.57087087087087 1.07486969538042 9.08306439974814
188 1.57877877877878 1.00543835481651 8.48408147654876
189 1.58668668668669 0.940577859451262 7.92652097544859
190 1.59459459459459 0.879972763876039 7.40735834683393
191 1.6025025025025 0.823330605000164 6.92380234317292
192 1.61041041041041 0.770380133290034 6.47327603839988
193 1.61831831831832 0.72086968757927 6.0533994722182
194 1.62622622622623 0.674565701187108 5.66197377330337
195 1.63413413413413 0.631251328181614 5.2969666291274
196 1.64204204204204 0.590725179620577 4.95649898251552
197 1.64994994994995 0.552800160505993 4.6388328462225
198 1.65785785785786 0.517302399007258 4.34236013690498
199 1.66576576576577 0.484070260251384 4.06559243897561
200 1.67367367367367 0.452953437653352 3.80715161705636
201 1.68158158158158 0.423812115372641 3.56576120318869
202 1.68948948948949 0.396516196038733 3.34023849168608
203 1.6973973973974 0.370944588394795 3.12948728060376
204 1.70530530530531 0.346984549969071 2.9324912043104
205 1.71321321321321 0.324531080302503 2.74830760663811
206 1.72112112112112 0.303486360642486 2.57606190860934
207 1.72902902902903 0.283759236359899 2.41494242883818
208 1.73693693693694 0.265264738663061 2.26419561842167
209 1.74484484484485 0.247923642470585 2.12312167550911
210 1.75275275275275 0.231662057568156 1.99107050779955
211 1.76066066066066 0.216411050414131 1.8674380139976
212 1.76856856856857 0.202106294177804 1.75166265778372
213 1.77647647647648 0.188687744794104 1.64322231015104
214 1.78438438438438 0.17609934100101 1.54163133804787
215 1.79229229229229 0.16428872649287 1.44643791916469
216 1.8002002002002 0.153206992475234 1.35722156443183
217 1.80810810810811 0.142808439046315 1.27359083136804
218 1.81601601601602 0.133050353957741 1.19518121285273
219 1.82392392392392 0.123892807424017 1.12165318720078
220 1.83183183183183 0.115298461757009 1.05269041660885
221 1.83973973973974 0.107232394699662 0.987998082127734
222 1.84764764764765 0.0996619354228675 0.927301344305503
223 1.85555555555556 0.0925565122315849 0.870343919549841
224 1.86346346346346 0.0858875111017517 0.816886763083234
225 1.87137137137137 0.0796281442386118 0.7667068501182
226 1.87927927927928 0.0737533279105785 0.719596047568422
227 1.88718718718719 0.0682395688709667 0.675360069241046
228 1.8950950950951 0.0630648587334151 0.63381750803097
229 1.903003003003 0.0582085757159425 0.594798939164424
230 1.91091091091091 0.0536513932137222 0.558146089020984
231 1.91881881881882 0.0493751947021518 0.523711064504129
232 1.92672672672673 0.045362994509951 0.491355638334415
233 1.93463463463463 0.0415988640371196 0.460950586009284
234 1.94254254254254 0.038067863024879 0.432375070512661
235 1.95045045045045 0.0347559755144519 0.405516071168302
236 1.95835835835836 0.0316500501589079 0.380267853315973
237 1.96626626626627 0.0287377445775075 0.356531475751011
238 1.97417417417417 0.0260074734652242 0.334214333107932
239 1.98208208208208 0.0234483601915158 0.31322973058894
240 1.98998998998999 0.0210501916421748 0.293496488640685
241 1.9978978978979 0.0188033760762888 0.274938575368412
242 2.00580580580581 0.0166989037871366 0.257484764647489
243 2.01371371371371 0.0147283103713544 0.241068318049349
244 2.02162162162162 0.0128836424250166 0.225626688843286
245 2.02952952952953 0.0111574254984858 0.211101246468339
246 2.03743743743744 0.00954263415410446 0.197437019991799
247 2.04534534534535 0.00803266398207226 0.184582459183317
248 2.05325325325325 0.00662130544028519 0.172489211937234
249 2.06116116116116 0.00530271939354896 0.161111916871141
250 2.06906906906907 0.00407141423649798 0.150408010016622
251 2.07697697697698 0.0029222244927964 0.14033754459912
252 2.08488488488489 0.00185029079083089 0.130863022978601
253 2.09279279279279 0.000851041123173347 0.121949239891557
254 2.1007007007007 -7.98266963733835e-05 0.113563136198435
255 2.10860860860861 -0.000946361458266732 0.105673662399238
256 2.11651651651652 -0.00175237393976538 0.0982516512341428
257 2.12442442442442 -0.00250145131382717 0.0912696987359834
258 2.13233233233233 -0.00319697064885061 0.0847020531475888
259 2.14024024024024 -0.00384211155927564 0.0785245111596047
260 2.14814814814815 -0.00443986806291079 0.0727143209638543
261 2.15605605605606 -0.00499305969700861 0.0672500916537017
262 2.16396396396396 -0.00550434194154004 0.0621117085365733
263 2.17187187187187 -0.00597621599480422 0.05728025395495
264 2.17977977977978 -0.00641103794343415 0.0527379332409606
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791 6.34724724724725 -5.23954129131207e-05 -4.94639000197525e-05
792 6.35515515515516 -5.20059531509341e-05 -4.90356191248447e-05
793 6.36306306306306 -5.16198634508234e-05 -4.86115650831254e-05
794 6.37097097097097 -5.12371105725617e-05 -4.81916911164296e-05
795 6.37887887887888 -5.08576616435692e-05 -4.77759510194571e-05
796 6.38678678678679 -5.04814841544138e-05 -4.73642991520951e-05
797 6.39469469469469 -5.01085459543711e-05 -4.69566904318523e-05
798 6.4026026026026 -4.97388152470452e-05 -4.65530803264035e-05
799 6.41051051051051 -4.93722605860461e-05 -4.61534248462407e-05
800 6.41841841841842 -4.90088508707268e-05 -4.57576805374325e-05
801 6.42632632632633 -4.86485553419755e-05 -4.53658044744867e-05
802 6.43423423423423 -4.82913435780656e-05 -4.49777542533168e-05
803 6.44214214214214 -4.79371854905589e-05 -4.45934879843093e-05
804 6.45005005005005 -4.75860513202649e-05 -4.42129642854919e-05
805 6.45795795795796 -4.72379116332529e-05 -4.38361422757991e-05
806 6.46586586586587 -4.68927373169173e-05 -4.3462981568435e-05
807 6.47377377377377 -4.65504995760948e-05 -4.3093442264332e-05
808 6.48168168168168 -4.62111699292331e-05 -4.27274849457022e-05
809 6.48958958958959 -4.58747202046101e-05 -4.23650706696824e-05
810 6.4974974974975 -4.55411225366033e-05 -4.20061609620694e-05
811 6.5054054054054 -4.52103493620076e-05 -4.16507178111451e-05
812 6.51331331331331 -4.48823734164029e-05 -4.12987036615897e-05
813 6.52122122122122 -4.45571677305681e-05 -4.09500814084822e-05
814 6.52912912912913 -4.42347056269431e-05 -4.06048143913859e-05
815 6.53703703703704 -4.3914960716137e-05 -4.02628663885186e-05
816 6.54494494494494 -4.35979068934818e-05 -3.9924201611005e-05
817 6.55285285285285 -4.32835183356318e-05 -3.95887846972118e-05
818 6.56076076076076 -4.29717694972069e-05 -3.92565807071625e-05
819 6.56866866866867 -4.26626351074801e-05 -3.89275551170314e-05
820 6.57657657657658 -4.2356090167108e-05 -3.8601673813716e-05
821 6.58448448448448 -4.20521099449043e-05 -3.82789030894857e-05
822 6.59239239239239 -4.17506699746548e-05 -3.79592096367067e-05
823 6.6003003003003 -4.14517460519744e-05 -3.76425605426408e-05
824 6.60820820820821 -4.1155314231204e-05 -3.73289232843178e-05
825 6.61611611611612 -4.08613508223491e-05 -3.70182657234804e-05
826 6.62402402402402 -4.05698323880568e-05 -3.67105561015997e-05
827 6.63193193193193 -4.02807357406324e-05 -3.6405763034961e-05
828 6.63983983983984 -3.99940379390949e-05 -3.61038555098192e-05
829 6.64774774774775 -3.97097162862698e-05 -3.58048028776206e-05
830 6.65565565565566 -3.94277483259204e-05 -3.55085748502939e-05
831 6.66356356356356 -3.91481118399151e-05 -3.52151414956045e-05
832 6.67147147147147 -3.88707848454318e-05 -3.49244732325761e-05
833 6.67937937937938 -3.85957455921981e-05 -3.46365408269752e-05
834 6.68728728728729 -3.83229725597671e-05 -3.43513153868578e-05
835 6.6951951951952 -3.80524444548276e-05 -3.40687683581799e-05
836 6.7031031031031 -3.77841402085494e-05 -3.3788871520468e-05
837 6.71101101101101 -3.75180389739624e-05 -3.35115969825494e-05
838 6.71891891891892 -3.72541201233693e-05 -3.32369171783435e-05
839 6.72682682682683 -3.69923632457909e-05 -3.29648048627093e-05
840 6.73473473473473 -3.67327481444449e-05 -3.26952331073526e-05
841 6.74264264264264 -3.64752548342558e-05 -3.24281752967878e-05
842 6.75055055055055 -3.6219863539397e-05 -3.21636051243576e-05
843 6.75845845845846 -3.59665546908648e-05 -3.1901496588306e-05
844 6.76636636636637 -3.57153089240819e-05 -3.16418239879064e-05
845 6.77427427427427 -3.54661070765327e-05 -3.13845619196432e-05
846 6.78218218218218 -3.5218930185427e-05 -3.11296852734449e-05
847 6.79009009009009 -3.4973759485395e-05 -3.08771692289707e-05
848 6.797997997998 -3.47305764062105e-05 -3.06269892519463e-05
849 6.80590590590591 -3.44893625705427e-05 -3.03791210905518e-05
850 6.81381381381381 -3.4250099791737e-05 -3.01335407718574e-05
851 6.82172172172172 -3.40127700716235e-05 -2.98902245983094e-05
852 6.82962962962963 -3.37773555983526e-05 -2.96491491442633e-05
853 6.83753753753754 -3.35438387442591e-05 -2.94102912525649e-05
854 6.84544544544545 -3.3312202063752e-05 -2.91736280311775e-05
855 6.85335335335335 -3.30824282912307e-05 -2.89391368498557e-05
856 6.86126126126126 -3.28545003390286e-05 -2.87067953368643e-05
857 6.86916916916917 -3.26284012953812e-05 -2.84765813757414e-05
858 6.87707707707708 -3.24041144224201e-05 -2.82484731021063e-05
859 6.88498498498499 -3.2181623154192e-05 -2.80224489005105e-05
860 6.89289289289289 -3.19609110947026e-05 -2.77984874013306e-05
861 6.9008008008008 -3.17419620159849e-05 -2.75765674777048e-05
862 6.90870870870871 -3.1524759856191e-05 -2.73566682425097e-05
863 6.91661661661662 -3.13092887177085e-05 -2.71387690453782e-05
864 6.92452452452453 -3.10955328653e-05 -2.69228494697584e-05
865 6.93243243243243 -3.08834767242651e-05 -2.67088893300111e-05
866 6.94034034034034 -3.06731048786262e-05 -2.64968686685473e-05
867 6.94824824824825 -3.04644020693358e-05 -2.62867677530036e-05
868 6.95615615615616 -3.02573531925071e-05 -2.60785670734565e-05
869 6.96406406406406 -3.00519432976653e-05 -2.58722473396729e-05
870 6.97197197197197 -2.98481575860216e-05 -2.56677894783986e-05
871 6.97987987987988 -2.96459814087673e-05 -2.54651746306827e-05
872 6.98778778778779 -2.944540026539e-05 -2.52643841492375e-05
873 6.9956956956957 -2.92463998020102e-05 -2.50653995958347e-05
874 7.0036036036036 -2.90489658097378e-05 -2.48682027387352e-05
875 7.01151151151151 -2.88530842230498e-05 -2.46727755501544e-05
876 7.01941941941942 -2.86587411181869e-05 -2.44791002037603e-05
877 7.02732732732733 -2.84659227115704e-05 -2.42871590722055e-05
878 7.03523523523523 -2.82746153582385e-05 -2.4096934724692e-05
879 7.04314314314314 -2.8084805550301e-05 -2.39084099245685e-05
880 7.05105105105105 -2.78964799154142e-05 -2.37215676269589e-05
881 7.05895895895896 -2.77096252152725e-05 -2.35363909764233e-05
882 7.06686686686687 -2.75242283441209e-05 -2.33528633046494e-05
883 7.07477477477477 -2.73402763272828e-05 -2.31709681281742e-05
884 7.08268268268268 -2.71577563197084e-05 -2.29906891461368e-05
885 7.09059059059059 -2.69766556045387e-05 -2.281201023806e-05
886 7.0984984984985 -2.67969615916878e-05 -2.26349154616613e-05
887 7.10640640640641 -2.66186618164426e-05 -2.24593890506932e-05
888 7.11431431431431 -2.64417439380792e-05 -2.2285415412812e-05
889 7.12222222222222 -2.62661957384954e-05 -2.21129791274735e-05
890 7.13013013013013 -2.60920051208614e-05 -2.19420649438582e-05
891 7.13803803803804 -2.59191601082846e-05 -2.17726577788218e-05
892 7.14594594594595 -2.57476488424925e-05 -2.16047427148744e-05
893 7.15385385385385 -2.55774595825302e-05 -2.14383049981847e-05
894 7.16176176176176 -2.54085807034743e-05 -2.12733300366112e-05
895 7.16966966966967 -2.52410006951617e-05 -2.11098033977591e-05
896 7.17757757757758 -2.50747081609341e-05 -2.09477108070616e-05
897 7.18548548548549 -2.49096918163972e-05 -2.07870381458882e-05
898 7.19339339339339 -2.47459404881953e-05 -2.06277714496752e-05
899 7.2013013013013 -2.45834431128e-05 -2.04698969060829e-05
900 7.20920920920921 -2.44221887353139e-05 -2.03134008531749e-05
901 7.21711711711712 -2.42621665082879e-05 -2.01582697776225e-05
902 7.22502502502503 -2.41033656905535e-05 -2.00044903129311e-05
903 7.23293293293293 -2.39457756460684e-05 -1.98520492376907e-05
904 7.24084084084084 -2.37893858427759e-05 -1.97009334738487e-05
905 7.24874874874875 -2.36341858514784e-05 -1.95511300850047e-05
906 7.25665665665666 -2.34801653447234e-05 -1.94026262747276e-05
907 7.26456456456456 -2.33273140957034e-05 -1.92554093848948e-05
908 7.27247247247247 -2.3175621977169e-05 -1.91094668940523e-05
909 7.28038038038038 -2.3025078960354e-05 -1.89647864157959e-05
910 7.28828828828829 -2.2875675113914e-05 -1.8821355697174e-05
911 7.2961961961962 -2.27274006028777e-05 -1.86791626171098e-05
912 7.3041041041041 -2.25802456876095e-05 -1.85381951848449e-05
913 7.31201201201201 -2.24342007227856e-05 -1.83984415384022e-05
914 7.31991991991992 -2.22892561563813e-05 -1.82598899430684e-05
915 7.32782782782783 -2.21454025286709e-05 -1.81225287898966e-05
916 7.33573573573574 -2.20026304712385e-05 -1.79863465942276e-05
917 7.34364364364364 -2.18609307060015e-05 -1.78513319942299e-05
918 7.35155155155155 -2.17202940442444e-05 -1.7717473749459e-05
919 7.35945945945946 -2.15807113856652e-05 -1.75847607394344e-05
920 7.36736736736737 -2.14421737174317e-05 -1.74531819622351e-05
921 7.37527527527527 -2.13046721132497e-05 -1.73227265331133e-05
922 7.38318318318318 -2.11681977324419e-05 -1.71933836831246e-05
923 7.39109109109109 -2.10327418190372e-05 -1.70651427577771e-05
924 7.398998998999 -2.08982957008713e-05 -1.69379932156962e-05
925 7.40690690690691 -2.07648507886971e-05 -1.68119246273079e-05
926 7.41481481481481 -2.0632398575306e-05 -1.6686926673537e-05
927 7.42272272272272 -2.05009306346588e-05 -1.65629891445232e-05
928 7.43063063063063 -2.03704386210275e-05 -1.64401019383529e-05
929 7.43853853853854 -2.02409142681462e-05 -1.63182550598067e-05
930 7.44644644644645 -2.01123493883727e-05 -1.61974386191233e-05
931 7.45435435435435 -1.9984735871859e-05 -1.60776428307788e-05
932 7.46226226226226 -1.98580656857321e-05 -1.59588580122809e-05
933 7.47017017017017 -1.97323308732837e-05 -1.58410745829789e-05
934 7.47807807807808 -1.96075235531696e-05 -1.57242830628883e-05
935 7.48598598598599 -1.94836359186183e-05 -1.56084740715304e-05
936 7.49389389389389 -1.93606602366487e-05 -1.54936383267858e-05
937 7.5018018018018 -1.92385888472964e-05 -1.53797666437635e-05
938 7.50970970970971 -1.91174141628497e-05 -1.52668499336828e-05
939 7.51761761761762 -1.89971286670937e-05 -1.51548792027699e-05
940 7.52552552552553 -1.88777249145636e-05 -1.50438455511684e-05
941 7.53343343343343 -1.87591955298057e-05 -1.49337401718628e-05
942 7.54134134134134 -1.86415332066479e-05 -1.48245543496161e-05
943 7.54924924924925 -1.85247307074782e-05 -1.47162794599202e-05
944 7.55715715715716 -1.84087808625308e-05 -1.46089069679592e-05
945 7.56506506506507 -1.82936765691814e-05 -1.45024284275861e-05
946 7.57297297297297 -1.81794107912495e-05 -1.4396835480312e-05
947 7.58088088088088 -1.80659765583097e-05 -1.42921198543074e-05
948 7.58878878878879 -1.79533669650101e-05 -1.41882733634168e-05
949 7.5966966966967 -1.78415751703986e-05 -1.40852879061843e-05
950 7.6046046046046 -1.77305943972566e-05 -1.39831554648923e-05
951 7.61251251251251 -1.76204179314415e-05 -1.38818681046117e-05
952 7.62042042042042 -1.75110391212346e-05 -1.37814179722636e-05
953 7.62832832832833 -1.74024513766985e-05 -1.36817972956926e-05
954 7.63623623623624 -1.72946481690399e-05 -1.3582998382752e-05
955 7.64414414414414 -1.71876230299812e-05 -1.34850136203999e-05
956 7.65205205205205 -1.70813695511383e-05 -1.33878354738061e-05
957 7.65995995995996 -1.69758813834052e-05 -1.32914564854704e-05
958 7.66786786786787 -1.68711522363464e-05 -1.31958692743518e-05
959 7.67577577577578 -1.67671758775955e-05 -1.31010665350082e-05
960 7.68368368368368 -1.66639461322608e-05 -1.30070410367462e-05
961 7.69159159159159 -1.65614568823374e-05 -1.2913785622782e-05
962 7.6994994994995 -1.64597020661261e-05 -1.28212932094122e-05
963 7.70740740740741 -1.63586756776588e-05 -1.2729556785195e-05
964 7.71531531531532 -1.62583717661301e-05 -1.26385694101408e-05
965 7.72322322322322 -1.61587844353356e-05 -1.2548324214913e-05
966 7.73113113113113 -1.6059907843116e-05 -1.24588144000389e-05
967 7.73903903903904 -1.59617362008082e-05 -1.23700332351297e-05
968 7.74694694694695 -1.58642637727017e-05 -1.22819740581098e-05
969 7.75485485485486 -1.57674848755014e-05 -1.21946302744563e-05
970 7.76276276276276 -1.56713938777966e-05 -1.21079953564467e-05
971 7.77067067067067 -1.55759851995355e-05 -1.20220628424164e-05
972 7.77857857857858 -1.54812533115057e-05 -1.19368263360251e-05
973 7.78648648648649 -1.53871927348206e-05 -1.18522795055317e-05
974 7.79439439439439 -1.52937980404116e-05 -1.17684160830784e-05
975 7.8023023023023 -1.5201063848525e-05 -1.16852298639829e-05
976 7.81021021021021 -1.51089848282262e-05 -1.16027147060398e-05
977 7.81811811811812 -1.50175556969074e-05 -1.15208645288302e-05
978 7.82602602602603 -1.49267712198025e-05 -1.14396733130387e-05
979 7.83393393393393 -1.48366262095059e-05 -1.13591350997805e-05
980 7.84184184184184 -1.47471155254978e-05 -1.12792439899345e-05
981 7.84974974974975 -1.4658234073674e-05 -1.11999941434857e-05
982 7.85765765765766 -1.45699768058807e-05 -1.11213797788753e-05
983 7.86556556556557 -1.44823387194555e-05 -1.10433951723582e-05
984 7.87347347347347 -1.43953148567723e-05 -1.09660346573686e-05
985 7.88138138138138 -1.43089003047914e-05 -1.08892926238925e-05
986 7.88928928928929 -1.42230901946152e-05 -1.08131635178488e-05
987 7.8971971971972 -1.41378797010483e-05 -1.07376418404767e-05
988 7.9051051051051 -1.40532640421618e-05 -1.06627221477309e-05
989 7.91301301301301 -1.39692384788639e-05 -1.05883990496841e-05
990 7.92092092092092 -1.38857983144736e-05 -1.05146672099363e-05
991 7.92882882882883 -1.38029388942999e-05 -1.04415213450311e-05
992 7.93673673673674 -1.37206556052255e-05 -1.03689562238796e-05
993 7.94464464464464 -1.3638943875295e-05 -1.029696666719e-05
994 7.95255255255255 -1.35577991733072e-05 -1.02255475469048e-05
995 7.96046046046046 -1.34772170084126e-05 -1.01546937856446e-05
996 7.96836836836837 -1.33971929297145e-05 -1.00844003561579e-05
997 7.97627627627628 -1.33177225258746e-05 -1.00146622807781e-05
998 7.98418418418418 -1.32388014247237e-05 -9.94547463088666e-06
999 7.99209209209209 -1.3160425292875e-05 -9.87683252638211e-06
1000 8 0 0
# Pair potential lj/cut for atom types 2 4: i,r,energy,force

lj_2_4
N 1000 R 0.1 8

1 0.1 4882500 585918749.999999
2 0.107907907907908 1958785.55304494 217839588.623147
3 0.115815815815816 838278.865834032 86863122.0260493
4 0.123723723723724 379432.518872952 36805495.5556248
5 0.131631631631632 180385.764998418 16447335.6343651
6 0.13953953953954 89556.5565593828 7703427.09177565
7 0.147447447447447 46210.1343149283 3762045.973696
8 0.155355355355355 24681.0912129522 1907281.9182913
9 0.163263263263263 13598.2079975802 1000087.22563202
10 0.171171171171171 7705.53689718834 540634.190704366
11 0.179079079079079 4479.34112744925 300475.879299794
12 0.186986986986987 2665.28571447224 171280.876751261
13 0.194894894894895 1620.08788761075 99927.03112962
14 0.202802802802803 1004.25617735986 59555.5085336408
15 0.210710710710711 633.856854769309 36199.8936658332
16 0.218618618618619 406.798316462139 22407.7624444252
17 0.226526526526527 265.136385828603 14106.5746277724
18 0.234434434434434 175.296954282174 9021.10694001013
19 0.242342342342342 117.449509095988 5853.90955867663
20 0.25025025025025 79.6700095636664 3850.8419026428
21 0.258158158158158 54.6679951041657 2565.67549117713
22 0.266066066066066 37.9159525325313 1729.93374418621
23 0.273973973973974 26.560814638394 1179.54000427366
24 0.281881881881882 18.7798451246837 812.736835397844
25 0.28978978978979 13.3934283380677 565.537802418402
26 0.297697697697698 9.62881837140884 397.179811424432
27 0.305605605605606 6.97396438012951 281.37308241344
28 0.313513513513514 5.08586688233432 200.964008312561
29 0.321421421421421 3.73240068865389 144.636325225219
30 0.329329329329329 2.75494419610916 104.846407052369
31 0.337237237237237 2.04410354631738 76.5155251118911
32 0.345145145145145 1.52377462761293 56.1921462949224
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995 7.96046046046046 -1.2280635963062e-09 -9.25622476487857e-10
996 7.96836836836837 -1.22076924168501e-09 -9.19211394907755e-10
997 7.97627627627628 -1.21352538455053e-09 -9.12851011337987e-10
998 7.98418418418418 -1.20633162577211e-09 -9.06540875196681e-10
999 7.99209209209209 -1.19918756976462e-09 -9.00280540347099e-10
1000 8 0 0
# Pair potential lj/cut for atom types 2 5: i,r,energy,force

lj_2_5
N 1000 R 0.1 8

1 0.1 190825737645345 2.28990886717056e+16
2 0.107907907907908 76559250821875.1 8.51384330810771e+15
3 0.115815815815816 32765929528769.6 3.39496948640283e+15
4 0.123723723723724 14832048754787.5 1.43856476350219e+15
5 0.131631631631632 7052023486916.88 642887152271724
6 0.13953953953954 3501623804971.07 301129614502087
7 0.147447447447447 1807131649946.6 147073290694289
8 0.155355355355355 965432976606.096 74572239817731.1
9 0.163263263263263 532077839168.455 39108215510225.1
10 0.171171171171171 301626394318.279 21145601332081.9
11 0.179079079079079 175427847497.179 11755335399995.6
12 0.186986986986987 104447993546.143 6703013421726.15
13 0.194894894894895 63537639392.2357 3912118655583.83
14 0.202802802802803 39422949619.4246 2332687766753.87
15 0.210710710710711 24911340631.9272 1418704644065.93
16 0.218618618618619 16009971808.5144 878789758237.968
17 0.226526526526527 10452191939.2565 553694171556.697
18 0.234434434434434 6924352271.46917 354437352106.38
19 0.242342342342342 4650334101.97591 230269645979.853
20 0.25025025025025 3163306495.83034 151687124070.531
21 0.258158158158158 2177734727.13463 101228134820.618
22 0.266066066066066 1516215804.4967 68383892041.7029
23 0.273973973973974 1066897680.15695 46730017644.9085
24 0.281881881881882 758277332.046787 32280750628.6419
25 0.28978978978979 544047140.725183 22528715525.0321
26 0.297697697697698 393846663.947824 15875776554.8398
27 0.305605605605606 287538760.293355 11290643877.6559
28 0.313513513513514 211619759.881791 8099980557.17395
29 0.321421421421421 156939655.635882 5859254337.34709
30 0.329329329329329 117236966.807085 4271880965.22377
31 0.337237237237237 88186493.6446372 3137993951.73711
32 0.345145145145145 66773760.7525793 2321615313.89017
33 0.353053053053053 50879866.8824957 1729389855.24478
34 0.360960960960961 39003286.4818857 1296667680.862
35 0.368868868868869 30071713.005342 978306142.071983
36 0.376776776776777 23313672.7798344 742533730.131807
37 0.384684684684685 18170180.357355 566819874.260559
38 0.392592592592593 14233454.4953309 435071038.960461
39 0.4005005005005 11204076.082271 335711568.10693
40 0.408408408408408 8860815.68361556 260359753.348696
41 0.416316316316316 7039232.40423921 202907617.335695
42 0.424224224224224 5616390.27038249 158876664.791818
43 0.432132132132132 4499871.64156162 124963696.718554
44 0.44004004004004 3619829.57811539 98718470.4899626
45 0.447947947947948 2923203.57784288 78313456.970135
46 0.455855855855856 2369485.13107795 62378359.9626867
47 0.463763763763764 1927600.33058423 49880470.0124334
48 0.471671671671672 1573602.35379349 40037658.2726354
49 0.47957957957958 1288954.44119581 32254753.7458816
50 0.487487487487487 1059245.77783337 26076769.342222
51 0.495395395395395 873226.423163677 21154336.1554256
52 0.503303303303303 722078.581188317 17218031.2773612
53 0.511211211211211 598863.809223844 14059218.2833629
54 0.519119119119119 498101.827193602 11515680.9953331
55 0.527027027027027 415448.218814464 9460802.3169348
56 0.534934934934935 347446.778946918 7795377.39773438
57 0.542842842842843 291338.450711065 6441393.3424959
58 0.550750750750751 244913.34447618 5337283.49342036
59 0.558658658658659 206395.689205364 4434292.16283721
60 0.566566566566567 174354.057580035 3693679.11090264
61 0.574474474474475 147631.06205791 3084561.63774314
62 0.582382382382382 125288.107452072 2582242.72540073
63 0.59029029029029 106561.828758376 2166911.11463197
64 0.598198198198198 90829.6298500788 1822627.0552909
65 0.606106106106106 77582.3345864119 1536528.27121178
66 0.614014014014014 66402.4149166487 1298206.27884446
67 0.621921921921922 56946.6062486268 1099214.94091988
68 0.62982982982983 48931.985082673 932682.009160835
69 0.637737737737738 42124.7873622158 793001.139487764
70 0.645645645645646 36331.4028839999 675586.985454763
71 0.653553553553553 31391.1025033669 576679.888319282
72 0.661461461461461 27170.1491020322 493189.681086032
73 0.669369369369369 23557.016666683 422570.43013299
74 0.677277277277277 20458.4991474866 362719.717387399
75 0.685185185185185 17796.5356765547 311897.44321428
76 0.693093093093093 15505.6140180838 268660.199409206
77 0.701001001001001 13530.6419344553 231808.094328714
78 0.708908908908909 11825.1981326799 200341.56251049
79 0.716816816816817 10350.0918739896 173426.200519448
80 0.724724724724725 9072.1741698843 150364.070872246
81 0.732632632632633 7963.3545142862 130570.231045881
82 0.740540540540541 6999.78590834896 113553.49347544
83 0.748448448448448 6161.18798627725 98900.6195374319
84 0.756356356356356 5430.2837108287 86263.3069836347
85 0.764264264264264 4792.32966145692 75347.4548215733
86 0.772172172172172 4234.72361101945 65904.2889945017
87 0.78008008008008 3746.67605596457 57723.0116761529
88 0.787987987987988 3318.9347702405 50624.7006969859
89 0.795895895895896 2943.55340613585 44457.2368031853
90 0.803803803803804 2613.69675434955 39091.077669776
91 0.811711711711712 2323.47657132765 34415.7308582876
92 0.81961961961962 2067.81294062771 30336.8048193719
93 0.827527527527528 1842.31700188741 26773.5388534636
94 0.835435435435435 1643.19159207478 23656.7306603192
95 0.843343343343343 1467.14692819249 20926.9945292585
96 0.851251251251251 1311.32894195388 18533.2949830981
97 0.859159159159159 1173.25827408999 16431.7102995366
98 0.867067067067067 1050.77826421599 14584.3882024436
99 0.874974974974975 942.010544013807 12958.662470065
100 0.882882882882883 845.317066978222 11526.3045115606
101 0.890790790790791 759.267595348324 10262.8883304118
102 0.898698698698699 682.611820814208 9147.25089513413
103 0.906606606606607 614.255425630084 8161.03291368531
104 0.914514514514514 553.239499368079 7288.28747099773
105 0.922422422422422 498.722817391767 6515.14603103388
106 0.93033033033033 449.96656323918 5829.53300045885
107 0.938238238238238 406.32114097043 5220.92146147109
108 0.946146146146146 367.214777207138 4680.12385639192
109 0.954054054054054 332.143657764238 4199.11238711654
110 0.961961961961962 300.663381851247 3770.8647119536
111 0.96986986986987 272.381548961175 3389.23120823179
112 0.977777777777778 246.951320734868 3048.82064396523
113 0.985685685685686 224.065823087865 2744.90158449561
114 0.993593593593594 203.453273382795 2473.31726577307
115 1.0015015015015 184.872733978896 2230.41200752854
116 1.00940940940941 168.110407555914 2012.96752757757
117 1.01731731731732 152.976401580428 1818.14776162335
118 1.02522522522523 139.301899483865 1643.45099846256
119 1.03313313313313 126.936684825714 1486.66831448457
120 1.04104104104104 115.746972151585 1345.84743882953
121 1.04894894894895 105.613504616539 1219.26130573562
122 1.05685685685686 96.4298838914425 1105.38065696892
123 1.06476476476476 88.1011025408787 1002.85014773113
124 1.07267267267267 80.5422530706753 910.467486538344
125 1.08058058058058 73.6773912890689 827.165205325544
126 1.08848848848849 67.4385345904251 751.994712188839
127 1.0963963963964 61.7647783243551 684.112327190908
128 1.1043043043043 56.6015156153875 622.76704275287
129 1.11221221221221 51.899747899536 567.289785374302
130 1.12012012012012 47.6154750871142 517.083985637674
131 1.12802802802803 43.7091556825114 471.617289403445
132 1.13593593593594 40.1452284225855 430.414265414321
133 1.14384384384384 36.8916880624125 393.049983731799
134 1.15175175175175 33.919708863141 359.144355975995
135 1.15965965965966 31.2033101410684 328.357142613102
136 1.16756756756757 28.7190589364578 300.383544859088
137 1.17547547547548 26.4458054693352 274.950309420488
138 1.18338338338338 24.3644475798145 251.812283509355
139 1.19129129129129 22.4577208129241 230.749365551248
140 1.1991991991992 20.7100112115282 211.563803924542
141 1.20710710710711 19.107188233534 194.077802073573
142 1.21501501501502 17.636455517902 178.131393553243
143 1.22292292292292 16.286217493816 163.580555096582
144 1.23083083083083 15.0459600637346 150.29552974209
145 1.23873873873874 13.9061437982834 138.15933549402
146 1.24664664664665 12.8581082627828 127.066437984426
147 1.25455455455455 11.8939862549094 116.921568219646
148 1.26246246246246 11.0066268733508 107.638668776667
149 1.27037037037037 10.1895264607978 99.1399538100073
150 1.27827827827828 9.43676657332611 91.3550699753239
151 1.28618618618619 8.74295822400901 84.2203469041715
152 1.29409409409409 8.10319173306667 77.678127203624
153 1.302002002002 7.51299159140183 71.6761671289581
154 1.30990990990991 6.9682758102042 66.1671001085198
155 1.31781781781782 6.46531928749693 61.1079562054976
156 1.32572572572573 6.00072077396681 56.4597313974425
157 1.33363363363363 5.57137306598229 52.1870012548517
158 1.34154154154154 5.1744360940636 48.257574216885
159 1.34944944944945 4.8073126108477 44.6421802057561
160 1.35735735735736 4.46762621433267 41.314190800612
161 1.36526526526527 4.15320147036376 38.2493676146599
162 1.37317317317317 3.86204592335711 35.4256358928374
163 1.38108108108108 3.59233380651223 32.8228806774593
164 1.38898898898899 3.34239128256186 30.4227631812443
165 1.3968968968969 3.11068306373334 28.2085552655621
166 1.4048048048048 2.89580027529578 26.1649901506208
167 1.41271271271271 2.69644944106267 24.2781276871794
168 1.42062062062062 2.51144248170399 22.535232699298
169 1.42852852852853 2.33968762786387 20.9246650673257
170 1.43643643643644 2.18018116003255 19.4357803621496
171 1.44434434434434 2.03199989601521 18.0588399677678
172 1.45225225225225 1.89429435479401 16.784929741341
173 1.46016016016016 1.76628253269713 15.6058863596168
174 1.46806806806807 1.64724423416066 14.5142305894427
175 1.47597597597598 1.53651590507898 13.5031067992203
176 1.48388388388388 1.43348592185641 12.5662280987115
177 1.49179179179179 1.33759029386454 11.6978265575539
178 1.4996996996997 1.24830874112893 10.8926080090354
179 1.50760760760761 1.1651611127695 10.145710995869
180 1.51551551551552 1.08770411504308 9.45266945956997
181 1.52342342342342 1.01552832082578 8.80937881515315
182 1.53133133133133 0.948255435061326 8.21206508876827
183 1.53923923923924 0.885535793121694 7.6572568280334
184 1.54714714714715 0.827046071205352 7.1417595236185
185 1.55505505505506 0.772487189862276 6.66263230644403
186 1.56296296296296 0.721582393504943 6.21716670800741
187 1.57087087087087 0.674075490361258 5.8028672921234
188 1.57877877877878 0.6297292387664 5.41743398501754
189 1.58668668668669 0.5883238669916 5.05874594746691
190 1.59459459459459 0.549655714983421 4.72484684774548
191 1.6025025025025 0.513535987449408 4.41393140767551
192 1.61041041041041 0.479789608686904 4.12433310627641
193 1.61831831831832 0.448254170421004 3.85451293647427
194 1.62622622622623 0.418778964704575 3.60304912022058
195 1.63413413413413 0.391224094645951 3.36862769627591
196 1.64204204204204 0.365459656375612 3.15003390294657
197 1.64994994994995 0.341364986248602 2.94614428530835
198 1.65785785785786 0.318827967810362 2.75591946299172
199 1.66576576576577 0.29774439353542 2.57839750050852
200 1.67367367367367 0.278017376785727 2.41268782743655
201 1.68158158158158 0.259556809832718 2.25796566060181
202 1.68948948948949 0.242278864148013 2.11346688475935
203 1.6973973973974 0.226105529495896 1.97848335222134
204 1.70530530530531 0.210964188659062 1.85235856545267
205 1.71321321321321 0.196787224900645 1.73448370989004
206 1.72112112112112 0.183511659512729 1.62429400717201
207 1.72902902902903 0.171078817026579 1.52126536162449
208 1.73693693693694 0.159434015864925 1.42491127525616
209 1.74484484484485 0.148526282403514 1.33478000870436
210 1.75275275275275 0.13830808657956 1.25045196755683
211 1.76066066066066 0.128735097340223 1.17153729527666
212 1.76856856856857 0.11976595636607 1.09767365559487
213 1.77647647647648 0.111362068634061 1.02852418872343
214 1.78438438438438 0.103487408502834 0.963775627094171
215 1.79229229229229 0.0961083401112428 0.903136557560066
216 1.8002002002002 0.0891934509798249 0.84633581811526
217 1.80810810810811 0.0827133977952993 0.793121018210076
218 1.81601601601602 0.0766407634408076 0.743257172665898
219 1.82392392392392 0.0709499244102672 0.696525440041089
220 1.83183183183183 0.0656169278144602 0.652721957070522
221 1.83973973973974 0.0606193772499029 0.61165676150477
222 1.84764764764765 0.0559363268596417 0.573152796316618
223 1.85555555555556 0.0515481829683968 0.537044988828343
224 1.86346346346346 0.0474366127232935 0.503179398847822
225 1.87137137137137 0.0435844592162181 0.471412430389914
226 1.87927927927928 0.039975662604937 0.441610102005785
227 1.88718718718719 0.0365951867878317 0.413647371150696
228 1.8950950950951 0.033428951221751 0.38740750839369
229 1.903003003003 0.0304637675042903 0.362781517613796
230 1.91091091091091 0.0276872803710521 0.339667598639508
231 1.91881881881882 0.0250879127853053 0.317970649074044
232 1.92672672672673 0.0226548148221787 0.29760180231061
233 1.93463463463463 0.0203778160722505 0.278477998981581
234 1.94254254254254 0.0182473813103069 0.260521589305207
235 1.95045045045045 0.0162545691942953 0.243659963994818
236 1.95835835835836 0.014390993777223 0.227825211580232
237 1.96626626626627 0.0126487886310713 0.21295380016042
238 1.97417417417417 0.0110205733968465 0.198986281762041
239 1.98208208208208 0.00949942258874031 0.185867017621105
240 1.98998998998999 0.00807883649316285 0.173543922836167
241 1.9978978978979 0.00675271401519426 0.16196822896182
242 2.00580580580581 0.00551532733587517 0.151094263221901
243 2.01371371371371 0.00436129825379325 0.140879243123547
244 2.02162162162162 0.00328557609368653 0.131283085346777
245 2.02952952952953 0.00228341707333566 0.122268227870256
246 2.03743743743744 0.00135036502792331 0.113799464373131
247 2.04534534534535 0.000482233398335623 0.105843790025621
248 2.05325325325325 -0.000324911603369617 0.0983702578481938
249 2.06116116116116 -0.00107476673186599 0.0913498448808881
250 2.06906906906907 -0.00177080642460029 0.0847553274613347
251 2.07697697697698 -0.00241629656540488 0.0785611649624376
252 2.08488488488489 -0.0030143073601738 0.0727433913890706
253 2.09279279279279 -0.0035677253845225 0.067279514277757
254 2.1007007007007 -0.00407926485912294 0.0621484203844069
255 2.10860860860861 -0.00455147820448146 0.057330287683193
256 2.11651651651652 -0.00498676592329918 0.0528065032346545
257 2.12442442442442 -0.00538738585518792 0.0485595865134899
258 2.13233233233233 -0.00575546184539631 0.0445731178163717
259 2.14024024024024 -0.00609299186630922 0.040831671397716
260 2.14814814814815 -0.0064018556278009 0.0373207530068584
261 2.15605605605606 -0.00668382171003516 0.0340267415236536
262 2.16396396396396 -0.00694055424999715 0.030936834411322
263 2.17187187187187 -0.00717361921089783 0.0280389967255322
264 2.17977977977978 -0.00738449026160392 0.0253219134373555
265 2.18768768768769 -0.00757455429139793 0.0227749448449929
266 2.1955955955956 -0.00774511658365707 0.0203880848651557
267 2.2035035035035 -0.00789740567044518 0.0181519220097715
268 2.21141141141141 -0.00803257788853036 0.0160576028673901
269 2.21931931931932 -0.0081517216559631 0.0140967979213559
270 2.22722722722723 -0.00825586148706876 0.0122616695485815
271 2.23513513513514 -0.00834596176251732 0.0105448420536501
272 2.24304304304304 -0.00842293027002456 0.00893937360309085
273 2.25095095095095 -0.008487621530208 0.00743872993403949
274 2.25885885885886 -0.00854083992116045 0.00603675972019729
275 2.26676676676677 -0.00858334261441119 0.00472767148606337
276 2.27467467467467 -0.00861584233411174 0.00350601196790981
277 2.28258258258258 -0.00863900995050883 0.00236664582691716
278 2.29049049049049 -0.00865347691804468 0.00130473662634161
279 2.2983983983984 -0.00865983756775185 0.000315728990584717
280 2.30630630630631 -0.00865865126298288 -0.000604668130397682
281 2.31421421421421 -0.00865044442692999 -0.00146049716273359
282 2.32212212212212 -0.00863571244984502 -0.0022555666428938
283 2.33003003003003 -0.00861492148336117 -0.00299346504667581
284 2.33793793793794 -0.00858851012884352 -0.00367757377085561
285 2.34584584584585 -0.00855689102625284 -0.0043110793215815
286 2.35375375375375 -0.00852045234959374 -0.0048969847599862
287 2.36166166166166 -0.00847955921463256 -0.00543812045214219
288 2.36956956956957 -0.00843455500421017 -0.00593715416736916
289 2.37747747747748 -0.00838576261613863 -0.00639660056599844
290 2.38538538538539 -0.00833348563835603 -0.00681883011499718
291 2.39329329329329 -0.00827800945572066 -0.0072060774673366
292 2.4012012012012 -0.00821960229255094 -0.00756044933864313
293 2.40910910910911 -0.0081585161947613 -0.00788393191248607
294 2.41701701701702 -0.00809498795520419 -0.0081783978036167
295 2.42492492492492 -0.00802923998560435 -0.00844561260657556
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814 6.52912912912913 -3.3156292585707e-05 -3.04400441438057e-05
815 6.53703703703704 -3.29165909935349e-05 -3.01836320181366e-05
816 6.54494494494494 -3.26789073287695e-05 -2.99296828629238e-05
817 6.55285285285285 -3.24432222196324e-05 -2.967817013384e-05
818 6.56076076076076 -3.22095165030001e-05 -2.94290676033853e-05
819 6.56866866866867 -3.19777712219143e-05 -2.91823493567441e-05
820 6.57657657657658 -3.1747967623126e-05 -2.89379897877012e-05
821 6.58448448448448 -3.15200871546711e-05 -2.86959635946154e-05
822 6.59239239239239 -3.12941114634769e-05 -2.84562457764504e-05
823 6.6003003003003 -3.10700223930013e-05 -2.82188116288614e-05
824 6.60820820820821 -3.08478019809015e-05 -2.79836367403377e-05
825 6.61611611611612 -3.06274324567331e-05 -2.77506969883991e-05
826 6.62402402402402 -3.04088962396799e-05 -2.75199685358462e-05
827 6.63193193193193 -3.01921759363121e-05 -2.72914278270639e-05
828 6.63983983983984 -2.99772543383743e-05 -2.70650515843759e-05
829 6.64774774774775 -2.97641144206017e-05 -2.68408168044513e-05
830 6.65565565565566 -2.95527393385647e-05 -2.66187007547618e-05
831 6.66356356356356 -2.93431124265411e-05 -2.63986809700875e-05
832 6.67147147147147 -2.9135217195416e-05 -2.61807352490726e-05
833 6.67937937937938 -2.89290373306091e-05 -2.59648416508292e-05
834 6.68728728728729 -2.87245566900271e-05 -2.57509784915882e-05
835 6.6951951951952 -2.85217593020449e-05 -2.55391243413971e-05
836 6.7031031031031 -2.83206293635102e-05 -2.53292580208639e-05
837 6.71101101101101 -2.81211512377753e-05 -2.51213585979464e-05
838 6.71891891891892 -2.7923309452754e-05 -2.49154053847862e-05
839 6.72682682682683 -2.7727088699002e-05 -2.47113779345865e-05
840 6.73473473473473 -2.75324738278239e-05 -2.45092560385334e-05
841 6.74264264264264 -2.73394498494026e-05 -2.430901972276e-05
842 6.75055055055055 -2.71480019309532e-05 -2.41106492453525e-05
843 6.75845845845846 -2.6958115394901e-05 -2.39141250933976e-05
844 6.76636636636637 -2.67697757170815e-05 -2.37194279800706e-05
845 6.77427427427427 -2.65829685249644e-05 -2.35265388417646e-05
846 6.78218218218218 -2.63976795958992e-05 -2.33354388352578e-05
847 6.79009009009009 -2.62138948553837e-05 -2.31461093349213e-05
848 6.797997997998 -2.60316003753543e-05 -2.29585319299644e-05
849 6.80590590590591 -2.58507823724977e-05 -2.27726884217183e-05
850 6.81381381381381 -2.56714272065842e-05 -2.25885608209567e-05
851 6.82172172172172 -2.54935213788216e-05 -2.24061313452534e-05
852 6.82962962962963 -2.53170515302305e-05 -2.22253824163762e-05
853 6.83753753753754 -2.51420044400399e-05 -2.20462966577163e-05
854 6.84544544544545 -2.49683670241023e-05 -2.18688568917527e-05
855 6.85335335335335 -2.47961263333296e-05 -2.1693046137552e-05
856 6.86126126126126 -2.46252695521481e-05 -2.15188476083011e-05
857 6.86916916916917 -2.44557839969735e-05 -2.13462447088748e-05
858 6.87707707707708 -2.42876571147037e-05 -2.11752210334355e-05
859 6.88498498498499 -2.41208764812323e-05 -2.10057603630663e-05
860 6.89289289289289 -2.39554297999789e-05 -2.08378466634356e-05
861 6.9008008008008 -2.37913049004392e-05 -2.06714640824943e-05
862 6.90870870870871 -2.36284897367517e-05 -2.0506596948203e-05
863 6.91661661661662 -2.34669723862842e-05 -2.03432297662912e-05
864 6.92452452452453 -2.33067410482357e-05 -2.0181347218046e-05
865 6.93243243243243 -2.31477840422575e-05 -2.0020934158131e-05
866 6.94034034034034 -2.29900898070902e-05 -1.98619756124347e-05
867 6.94824824824825 -2.28336468992184e-05 -1.97044567759477e-05
868 6.95615615615616 -2.26784439915416e-05 -1.95483630106689e-05
869 6.96406406406406 -2.25244698720618e-05 -1.9393679843539e-05
870 6.97197197197197 -2.23717134425871e-05 -1.92403929644031e-05
871 6.97987987987988 -2.22201637174516e-05 -1.90884882239995e-05
872 6.98778778778779 -2.20698098222507e-05 -1.89379516319761e-05
873 6.9956956956957 -2.19206409925924e-05 -1.87887693549331e-05
874 7.0036036036036 -2.17726465728637e-05 -1.8640927714492e-05
875 7.01151151151151 -2.16258160150125e-05 -1.84944131853907e-05
876 7.01941941941942 -2.14801388773439e-05 -1.83492123936034e-05
877 7.02732732732733 -2.13356048233315e-05 -1.82053121144862e-05
878 7.03523523523523 -2.11922036204439e-05 -1.80626992709469e-05
879 7.04314314314314 -2.10499251389843e-05 -1.792136093164e-05
880 7.05105105105105 -2.09087593509459e-05 -1.77812843091846e-05
881 7.05895895895896 -2.07686963288794e-05 -1.76424567584067e-05
882 7.06686686686687 -2.0629726244776e-05 -1.75048657746048e-05
883 7.07477477477477 -2.04918393689634e-05 -1.73684989918383e-05
884 7.08268268268268 -2.03550260690144e-05 -1.72333441812386e-05
885 7.09059059059059 -2.02192768086706e-05 -1.70993892493424e-05
886 7.0984984984985 -2.00845821467775e-05 -1.69666222364477e-05
887 7.10640640640641 -1.9950932736233e-05 -1.68350313149905e-05
888 7.11431431431431 -1.98183193229495e-05 -1.67046047879436e-05
889 7.12222222222222 -1.96867327448272e-05 -1.65753310872366e-05
890 7.13013013013013 -1.95561639307411e-05 -1.6447198772196e-05
891 7.13803803803804 -1.94266038995389e-05 -1.63201965280063e-05
892 7.14594594594595 -1.92980437590527e-05 -1.61943131641914e-05
893 7.15385385385385 -1.91704747051207e-05 -1.60695376131158e-05
894 7.16176176176176 -1.90438880206225e-05 -1.59458589285052e-05
895 7.16966966966967 -1.89182750745246e-05 -1.58232662839867e-05
896 7.17757757757758 -1.8793627320938e-05 -1.57017489716482e-05
897 7.18548548548549 -1.86699362981876e-05 -1.55812964006165e-05
898 7.19339339339339 -1.85471936278913e-05 -1.54618980956536e-05
899 7.2013013013013 -1.8425391014052e-05 -1.5343543695772e-05
900 7.20920920920921 -1.83045202421588e-05 -1.52262229528679e-05
901 7.21711711711712 -1.81845731783002e-05 -1.51099257303712e-05
902 7.22502502502503 -1.8065541768287e-05 -1.49946420019145e-05
903 7.23293293293293 -1.79474180367862e-05 -1.48803618500183e-05
904 7.24084084084084 -1.78301940864653e-05 -1.4767075464794e-05
905 7.24874874874875 -1.77138620971459e-05 -1.46547731426629e-05
906 7.25665665665666 -1.75984143249688e-05 -1.45434452850926e-05
907 7.26456456456456 -1.74838431015677e-05 -1.44330823973492e-05
908 7.27247247247247 -1.73701408332534e-05 -1.43236750872658e-05
909 7.28038038038038 -1.72573000002076e-05 -1.42152140640269e-05
910 7.28828828828829 -1.71453131556863e-05 -1.41076901369684e-05
911 7.2961961961962 -1.7034172925232e-05 -1.40010942143931e-05
912 7.3041041041041 -1.69238720058963e-05 -1.38954173024015e-05
913 7.31201201201201 -1.68144031654709e-05 -1.37906505037375e-05
914 7.31991991991992 -1.67057592417276e-05 -1.36867850166489e-05
915 7.32782782782783 -1.65979331416678e-05 -1.35838121337627e-05
916 7.33573573573574 -1.64909178407807e-05 -1.34817232409745e-05
917 7.34364364364364 -1.63847063823096e-05 -1.33805098163526e-05
918 7.35155155155155 -1.62792918765277e-05 -1.32801634290556e-05
919 7.35945945945946 -1.61746675000219e-05 -1.3180675738264e-05
920 7.36736736736737 -1.6070826494985e-05 -1.30820384921255e-05
921 7.37527527527527 -1.59677621685165e-05 -1.2984243526714e-05
922 7.38318318318318 -1.5865467891931e-05 -1.28872827650008e-05
923 7.39109109109109 -1.57639371000755e-05 -1.27911482158406e-05
924 7.398998998999 -1.56631632906536e-05 -1.26958319729687e-05
925 7.40690690690691 -1.5563140023559e-05 -1.2601326214012e-05
926 7.41481481481481 -1.54638609202152e-05 -1.25076231995119e-05
927 7.42272272272272 -1.53653196629242e-05 -1.24147152719603e-05
928 7.43063063063063 -1.52675099942218e-05 -1.23225948548469e-05
929 7.43853853853854 -1.51704257162411e-05 -1.22312544517192e-05
930 7.44644644644645 -1.50740606900828e-05 -1.21406866452545e-05
931 7.45435435435435 -1.49784088351936e-05 -1.20508840963426e-05
932 7.46226226226226 -1.48834641287505e-05 -1.19618395431812e-05
933 7.47017017017017 -1.47892206050538e-05 -1.18735458003823e-05
934 7.47807807807808 -1.46956723549259e-05 -1.17859957580893e-05
935 7.48598598598599 -1.46028135251173e-05 -1.16991823811062e-05
936 7.49389389389389 -1.45106383177199e-05 -1.16130987080369e-05
937 7.5018018018018 -1.4419140989587e-05 -1.15277378504354e-05
938 7.50970970970971 -1.4328315851759e-05 -1.14430929919672e-05
939 7.51761761761762 -1.4238157268897e-05 -1.13591573875806e-05
940 7.52552552552553 -1.41486596587223e-05 -1.12759243626887e-05
941 7.53343343343343 -1.40598174914621e-05 -1.11933873123613e-05
942 7.54134134134134 -1.39716252893022e-05 -1.11115397005271e-05
943 7.54924924924925 -1.38840776258451e-05 -1.1030375059186e-05
944 7.55715715715716 -1.37971691255754e-05 -1.09498869876308e-05
945 7.56506506506507 -1.371089446333e-05 -1.08700691516789e-05
946 7.57297297297297 -1.36252483637758e-05 -1.07909152829133e-05
947 7.58088088088088 -1.35402256008919e-05 -1.07124191779336e-05
948 7.58878878878879 -1.34558209974588e-05 -1.06345746976151e-05
949 7.5966966966967 -1.33720294245529e-05 -1.05573757663785e-05
950 7.6046046046046 -1.32888458010467e-05 -1.04808163714677e-05
951 7.61251251251251 -1.32062650931153e-05 -1.04048905622366e-05
952 7.62042042042042 -1.31242823137475e-05 -1.03295924494452e-05
953 7.62832832832833 -1.3042892522263e-05 -1.02549162045641e-05
954 7.63623623623624 -1.29620908238355e-05 -1.01808560590872e-05
955 7.64414414414414 -1.28818723690204e-05 -1.01074063038534e-05
956 7.65205205205205 -1.28022323532878e-05 -1.00345612883768e-05
957 7.65995995995996 -1.27231660165621e-05 -9.96231542018412e-06
958 7.66786786786787 -1.26446686427647e-05 -9.89066316416146e-06
959 7.67577577577578 -1.25667355593638e-05 -9.81959904190828e-06
960 7.68368368368368 -1.24893621369281e-05 -9.74911763109966e-06
961 7.69159159159159 -1.24125437886859e-05 -9.67921356485616e-06
962 7.6994994994995 -1.2336275970089e-05 -9.60988153112154e-06
963 7.70740740740741 -1.22605541783819e-05 -9.54111627204801e-06
964 7.71531531531532 -1.21853739521753e-05 -9.47291258338896e-06
965 7.72322322322322 -1.21107308710245e-05 -9.40526531389916e-06
966 7.73113113113113 -1.20366205550129e-05 -9.33816936474216e-06
967 7.73903903903904 -1.19630386643396e-05 -9.27161968890507e-06
968 7.74694694694695 -1.18899808989123e-05 -9.20561129062028e-06
969 7.75485485485486 -1.18174429979437e-05 -9.14013922479426e-06
970 7.76276276276276 -1.17454207395535e-05 -9.07519859644336e-06
971 7.77067067067067 -1.16739099403742e-05 -9.01078456013632e-06
972 7.77857857857858 -1.16029064551614e-05 -8.94689231944364e-06
973 7.78648648648649 -1.15324061764085e-05 -8.88351712639361e-06
974 7.79439439439439 -1.14624050339654e-05 -8.82065428093473e-06
975 7.8023023023023 -1.13928989946621e-05 -8.75829913040492e-06
976 7.81021021021021 -1.13238840619357e-05 -8.69644706900685e-06
977 7.81811811811812 -1.12553562754618e-05 -8.63509353728976e-06
978 7.82602602602603 -1.11873117107903e-05 -8.57423402163749e-06
979 7.83393393393393 -1.11197464789849e-05 -8.51386405376258e-06
980 7.84184184184184 -1.10526567262662e-05 -8.45397921020658e-06
981 7.84974974974975 -1.09860386336598e-05 -8.39457511184623e-06
982 7.85765765765766 -1.09198884166471e-05 -8.33564742340561e-06
983 7.86556556556557 -1.08542023248208e-05 -8.2771918529742e-06
984 7.87347347347347 -1.07889766415437e-05 -8.21920415153059e-06
985 7.88138138138138 -1.07242076836115e-05 -8.16168011247197e-06
986 7.88928928928929 -1.0659891800919e-05 -8.10461557114917e-06
987 7.8971971971972 -1.05960253761304e-05 -8.04800640440733e-06
988 7.9051051051051 -1.05326048243529e-05 -7.99184853013198e-06
989 7.91301301301301 -1.04696265928137e-05 -7.93613790680048e-06
990 7.92092092092092 -1.04070871605412e-05 -7.88087053303901e-06
991 7.92882882882883 -1.03449830380489e-05 -7.8260424471845e-06
992 7.93673673673674 -1.0283310767023e-05 -7.77164972685205e-06
993 7.94464464464464 -1.02220669200141e-05 -7.71768848850735e-06
994 7.95255255255255 -1.01612481001306e-05 -7.66415488704411e-06
995 7.96046046046046 -1.01008509407377e-05 -7.61104511536667e-06
996 7.96836836836837 -1.00408721051574e-05 -7.55835540397735e-06
997 7.97627627627628 -9.98130828637335e-06 -7.50608202056881e-06
998 7.98418418418418 -9.92215620673834e-06 -7.4542212696212e-06
999 7.99209209209209 -9.8634126176847e-06 -7.40276949200396e-06
1000 8 0 0
# Pair potential lj/cut for atom types 3 3: i,r,energy,force

lj_3_3
N 1000 R 0.1 8

1 0.1 9.22337202826484e+16 1.10680464390718e+19
2 0.107907907907908 3.70041518704148e+16 4.11508138171299e+18
3 0.115815815815816 1.58370860755828e+16 1.64092470257078e+18
4 0.123723723723724 7.16892331890426e+15 6.95315961897811e+17
5 0.131631631631632 3.40852551664698e+15 3.10733110209455e+17
6 0.13953953953954 1.69247513674041e+15 1.45548005803375e+17
7 0.147447447447447 873459191423413 7.1086414371277e+16
8 0.155355355355355 466632493076017 3.60437523428988e+16
9 0.163263263263263 257174583643281 1.89025685830997e+16
10 0.171171171171171 145788158631463 1.02205173458726e+16
11 0.179079079079079 84791337403699.9 5.68182542429736e+15
12 0.186986986986987 50483924146478.5 3.23983562480652e+15
13 0.194894894894895 30710306093756.5 1.89088422623064e+15
14 0.202802802802803 19054706561315.8 1.12748188379854e+15
15 0.210710710710711 12040661524095.9 685717131751543
16 0.218618618618619 7738270964816.94 424754565212149
17 0.226526526526527 5051971401785.36 267622788224448
18 0.234434434434434 3346823652603.61 171313941285046
19 0.242342342342342 2247698368302.75 111298680631769
20 0.25025025025025 1528957389164 73316573110508.6
21 0.258158158158158 1052590291854.44 48927701272272.4
22 0.266066066066066 732851064080.876 33052746454263.4
23 0.273973973973974 515677099667.35 22586548367778.9
24 0.281881881881882 366508099835.671 15602628292611
25 0.28978978978979 262961718479.72 10889070640800.8
26 0.297697697697698 190363523094.556 7673431925199.54
27 0.305605605605606 138980415095.422 5457248110695.66
28 0.313513513513514 102285520813.806 3915068217521.56
29 0.321421421421421 75856268071.0918 2832031792502.67
30 0.329329329329329 56666226620.421 2064787624013.67
31 0.337237237237237 42624849519.7137 1516732104668.48
32 0.345145145145145 32275116306.5115 1122141528012.39
33 0.353053053053053 24592874086.4153 835893508410.472
34 0.360960960960961 18852372932.6124 626740098435.672
35 0.368868868868869 14535322107.9985 472861996818.755
36 0.376776776776777 11268835814.7303 358902719760.094
37 0.384684684684685 8782732617.36607 273972306791.325
38 0.392592592592593 6879914365.93679 210292080675.887
39 0.4005005005005 5415658861.20795 162267041219.327
40 0.408408408408408 4283036263.752 125845955104.732
41 0.416316316316316 3402565038.66899 98076577486.5751
42 0.424224224224224 2714824747.98567 76794260061.4796
43 0.432132132132132 2175145774.11826 60402424390.339
44 0.44004004004004 1749767895.78664 47716761720.1798
45 0.447947947947948 1413044509.63304 37853947063.8988
46 0.455855855855856 1145395943.38997 30151655570.5431
47 0.463763763763764 931802688.174557 24110732522.4866
48 0.471671671671672 760690075.970806 19353139622.2837
49 0.47957957957958 623098368.726156 15591203431.3949
50 0.487487487487487 512062087.811878 12605007541.7956
51 0.495395395395395 422143553.118855 10225685488.1864
52 0.503303303303303 349080655.508613 8323012279.35659
53 0.511211211211211 289519667.982004 6796143777.19907
54 0.519119119119119 240811665.083606 5566672869.31912
55 0.527027027027027 200856741.077888 4573399125.50744
56 0.534934934934935 167984307.902899 3768371737.875
57 0.542842842842843 140860745.471457 3113882976.73507
58 0.550750750750751 118417875.373449 2580174371.34114
59 0.558658658658659 99797352.2767138 2143679619.67111
60 0.566566566566567 84307271.302544 1785673383.80205
61 0.574474474474475 71388186.6046848 1491228272.5321
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918 7.35155155155155 -0.000540445276222112 -0.000438065962173328
919 7.35945945945946 -0.000536993942823666 -0.000434820135916559
920 7.36736736736737 -0.000533568169215001 -0.000431601557578035
921 7.37527527527527 -0.000530167740928631 -0.000428409973024709
922 7.38318318318318 -0.000526792445496489 -0.000425245130709683
923 7.39109109109109 -0.000523442072429585 -0.000422106781644028
924 7.398998998999 -0.000520116413197886 -0.000418994679368922
925 7.40690690690691 -0.000516815261210423 -0.000415908579928116
926 7.41481481481481 -0.000513538411795604 -0.000412848241840702
927 7.42272272272272 -0.000510285662181746 -0.000409813426074199
928 7.43063063063063 -0.000507056811477821 -0.000406803896017946
929 7.43853853853854 -0.000503851660654406 -0.000403819417456791
930 7.44644644644645 -0.000500670012524845 -0.000400859758545088
931 7.45435435435435 -0.000497511671726614 -0.000397924689780988
932 7.46226226226226 -0.00049437644470288 -0.000395013983981015
933 7.47017017017017 -0.000491264139684276 -0.000392127416254945
934 7.47807807807808 -0.00048817456667086 -0.000389264763980959
935 7.48598598598599 -0.000485107537414273 -0.000386425806781087
936 7.49389389389389 -0.000482062865400096 -0.000383610326496924
937 7.5018018018018 -0.000479040365830386 -0.000380818107165631
938 7.50970970970971 -0.000476039855606414 -0.000378048934996201
939 7.51761761761762 -0.000473061153311579 -0.000375302598345997
940 7.52552552552553 -0.000470104079194515 -0.000372578887697562
941 7.53343343343343 -0.000467168455152371 -0.000369877595635685
942 7.54134134134134 -0.000464254104714277 -0.000367198516824729
943 7.54924924924925 -0.000461360853024997 -0.000364541447986224
944 7.55715715715716 -0.000458488526828733 -0.000361906187876706
945 7.56506506506507 -0.000455636954453135 -0.000359292537265807
946 7.57297297297297 -0.000452805965793454 -0.000356700298914602
947 7.58088088088088 -0.000449995392296889 -0.000354129277554195
948 7.58878878878879 -0.000447205066947088 -0.00035157927986455
949 7.5966966966967 -0.000444434824248815 -0.000349050114453558
950 7.6046046046046 -0.000441684500212796 -0.000346541591836351
951 7.61251251251251 -0.000438953932340708 -0.000344053524414839
952 7.62042042042042 -0.000436242959610345 -0.000341585726457488
953 7.62832832832833 -0.000433551422460935 -0.000339138014079319
954 7.63623623623624 -0.000430879162778614 -0.000336710205222142
955 7.64414414414414 -0.000428226023882059 -0.000334302119635006
956 7.65205205205205 -0.000425591850508274 -0.000331913578854873
957 7.65995995995996 -0.000422976488798525 -0.000329544406187514
958 7.66786786786787 -0.000420379786284429 -0.000327194426688616
959 7.67577577577578 -0.000417801591874188 -0.000324863467145101
960 7.68368368368368 -0.000415241755838975 -0.000322551356056667
961 7.69159159159159 -0.000412700129799456 -0.000320257923617521
962 7.6994994994995 -0.000410176566712467 -0.000317983001698335
963 7.70740740740741 -0.000407670920857828 -0.000315726423828391
964 7.71531531531532 -0.00040518304782529 -0.000313488025177938
965 7.72322322322322 -0.000402712804501633 -0.000311267642540742
966 7.73113113113113 -0.000400260049057897 -0.000309065114316833
967 7.73903903903904 -0.00039782464093674 -0.000306880280495453
968 7.74694694694695 -0.000395406440839948 -0.000304712982638185
969 7.75485485485486 -0.000393005310716057 -0.000302563063862281
970 7.76276276276276 -0.000390621113748123 -0.000300430368824172
971 7.77067067067067 -0.000388253714341611 -0.000298314743703169
972 7.77857857857858 -0.00038590297811242 -0.00029621603618534
973 7.78648648648649 -0.000383568771875025 -0.000294134095447575
974 7.79439439439439 -0.000381250963630757 -0.000292068772141826
975 7.8023023023023 -0.000378949422556194 -0.000290019918379524
976 7.81021021021021 -0.000376664018991686 -0.000287987387716174
977 7.81811811811812 -0.000374394624429991 -0.000285971035136116
978 7.82602602602603 -0.000372141111505037 -0.000283970717037469
979 7.83393393393393 -0.000369903353980804 -0.000281986291217228
980 7.84184184184184 -0.000367681226740317 -0.000280017616856542
981 7.84974974974975 -0.000365474605774757 -0.000278064554506149
982 7.85765765765766 -0.000363283368172691 -0.000276126966071972
983 7.86556556556557 -0.000361107392109408 -0.000274204714800886
984 7.87347347347347 -0.000358946556836375 -0.000272297665266635
985 7.88138138138138 -0.000356800742670795 -0.000270405683355908
986 7.88928928928929 -0.000354669830985282 -0.000268528636254576
987 7.8971971971972 -0.000352553704197639 -0.000266666392434074
988 7.9051051051051 -0.000350452245760746 -0.000264818821637941
989 7.91301301301301 -0.000348365340152553 -0.00026298579486851
990 7.92092092092092 -0.00034629287286618 -0.000261167184373744
991 7.92882882882883 -0.000344234730400114 -0.000259362863634218
992 7.93673673673674 -0.000342190800248515 -0.000257572707350248
993 7.94464464464464 -0.000340160970891621 -0.000255796591429166
994 7.95255255255255 -0.000338145131786252 -0.000254034392972728
995 7.96046046046046 -0.000336143173356415 -0.000252285990264671
996 7.96836836836837 -0.000334154986984005 -0.000250551262758402
997 7.97627627627628 -0.000332180464999603 -0.000248830091064828
998 7.98418418418418 -0.000330219500673371 -0.00024712235694032
999 7.99209209209209 -0.000328271988206042 -0.000245427943274805
1000 8 0 0
# Pair potential lj/cut for atom types 3 4: i,r,energy,force

lj_3_4
N 1000 R 0.1 8

1 0.1 6.6122195257322e+16 7.93466343493967e+18
2 0.107907907907908 2.65282127586127e+16 2.95009475702429e+18
3 0.115815815815816 1.13535797369014e+16 1.17637609381231e+18
4 0.123723723723724 5.13938878223217e+15 4.98470815813143e+17
5 0.131631631631632 2.4435660729419e+15 2.22764031638156e+17
6 0.13953953953954 1.21333251061377e+15 1.04343114721622e+17
7 0.147447447447447 626181389823245 5.09617280426413e+16
8 0.155355355355355 334528030408419 2.58397039780452e+16
9 0.163263263263263 184368015890696 1.35512188591058e+16
10 0.171171171171171 104515279663508 7.32707127915492e+15
11 0.179079079079079 60786763606704.6 4.07329085756246e+15
12 0.186986986986987 36191838155062.4 2.32263257652213e+15
13 0.194894894894895 22016165450524.6 1.3555716426488e+15
14 0.202802802802803 13660286237867.4 808289818611754
15 0.210710710710711 8631929445393.64 491589429105524
16 0.218618618618619 5547553075093.28 304505814927821
17 0.226526526526527 3621749554335.41 191858314891275
18 0.234434434434434 2399332077259.25 122814668599578
19 0.242342342342342 1611371060043.26 79789831765964.5
20 0.25025025025025 1096106894899.74 52560524431373.2
21 0.258158158158158 754600147274.046 35076184319665.9
22 0.266066066066066 525379648821.168 23695456635217.4
23 0.273973973973974 369688010433.523 16192257319531.7
24 0.281881881881882 262749013556.817 11185497099567.6
25 0.28978978978979 188516792908.721 7806355780338.83
26 0.297697697697698 136471273173.054 5501069958428.11
27 0.305605605605606 99634812795.5514 3912291627242.11
28 0.313513513513514 73328307330.586 2806705541220.92
29 0.321421421421421 54381222437.1855 2030278612568.07
30 0.329329329329329 40623915513.4305 1480242605375.35
31 0.337237237237237 30557677081.0022 1087342560530.68
32 0.345145145145145 23137971699.1616 804461266583.084
33 0.353053053053053 17630585937.5725 599250563392.23
34 0.360960960960961 13515230936.5365 449308851591.98
35 0.368868868868869 10420344969.8348 338993911943.878
36 0.376776776776777 8078606859.9091 257296707871.996
37 0.384684684684685 6296324008.21066 196410245643.791
38 0.392592592592593 4932197096.45009 150758005085.07
39 0.4005005005005 3882475034.21433 116328940306.615
40 0.408408408408408 3070500007.92944 90218729214.3436
41 0.416316316316316 2439291845.59249 70310912639.9667
42 0.424224224224224 1946252140.48348 55053658006.3844
43 0.432132132132132 1559357323.15725 43302381032.9229
44 0.44004004004004 1254404751.21033 34208052857.9743
45 0.447947947947948 1013008420.63804 27137419356.0425
46 0.455855855855856 821131699.62166 21615661012.6544
47 0.463763763763764 668007129.398118 17284934695.9867
48 0.471671671671672 545336851.50324 13874225423.1939
49 0.47957957957958 446697646.103633 11177300619.7881
50 0.487487487487487 367095974.380048 9036502606.96894
51 0.495395395395395 302633573.528699 7330771319.62642
52 0.503303303303303 250254945.45489 5966748696.9276
53 0.511211211211211 207555809.574124 4872139759.39622
54 0.519119119119119 172637156.245574 3990734591.27519
55 0.527027027027027 143993567.060841 3278658716.47564
56 0.534934934934935 120427400.661529 2701536289.35388
57 0.542842842842843 100982587.40633 2232334708.56056
58 0.550750750750751 84893352.2974289 1849720182.08714
59 0.558658658658659 71544349.2767 1536798072.42085
60 0.566566566566567 60439553.1323102 1280144220.36385
61 0.574474474474475 51177898.2802646 1069057207.7452
62 0.582382382382382 43434134.7884687 894979040.70119
63 0.59029029029029 36943733.4669255 751044711.78858
64 0.598198198198198 31490944.5119777 631730750.697983
65 0.606106106106106 26899320.6864075 532580081.447648
66 0.614014014014014 23024172.9976084 449985908.880286
67 0.621921921921922 19746546.6197524 381021425.988595
68 0.62982982982983 16968396.537871 323305208.069465
69 0.637737737737738 14608712.8891995 274894491.510805
70 0.645645645645646 12600400.3415727 234200309.929682
71 0.653553553553553 10887757.912377 199919816.153569
72 0.661461461461461 9424438.28389836 170982157.694645
73 0.669369369369369 8171791.0981554 146505072.509623
74 0.677277277277277 7097514.57658254 125759988.402396
75 0.685185185185185 6174555.37207659 108143886.637977
76 0.693093093093093 5380208.78990251 93156560.8347176
77 0.701001001001001 4695381.15134597 80382190.7206154
78 0.708908908908909 4103983.69038248 69474375.681839
79 0.716816816816817 3592433.40934553 60143949.5387113
80 0.724724724724725 3149241.11549984 52149036.6292365
81 0.732632632632633 2764670.6812123 45286918.4844987
82 0.740540540540541 2430456.62213322 39387366.6269222
83 0.748448448448448 2139569.53136131 34307165.3170096
84 0.756356356356356 1886020.8689574 29925602.2925501
85 0.764264264264264 1664700.18430897 26140748.6960354
86 0.772172172172172 1471239.12159518 22866383.814522
87 0.78008008008008 1301897.58741159 20029447.7910668
88 0.787987987987988 1153468.29310716 17567927.5403843
89 0.795895895895896 1023196.56112776 15429098.8376207
90 0.803803803803804 908712.835313641 13568061.8325879
91 0.811711711711712 807975.784100302 11946518.7701025
92 0.81961961961962 719224.252444511 10531752.0218593
93 0.827527527527528 640936.618669704 9295768.09377232
94 0.835435435435435 571796.35883961 8214579.412258
95 0.843343343343343 510662.823811786 7267600.69009946
96 0.851251251251251 456546.400922384 6437140.74802416
97 0.859159159159159 408587.369874506 5707973.99846981
98 0.867067067067067 366037.876157761 5066978.5246972
99 0.874974974974975 328246.539523915 4502829.92506844
100 0.882882882882883 294645.293183387 4005741.93041763
101 0.890790790790791 264738.11431936 3567246.31576414
102 0.898698698698699 238091.360564782 3180005.87577328
103 0.906606606606607 214325.472151905 2837655.26462361
104 0.914514514514514 193107.837079329 2534665.3544565
105 0.922422422422422 174146.648123061 2266227.47418908
106 0.93033033033033 157185.606893823 2028154.47808618
107 0.938238238238238 141999.35227515 1816796.08225427
108 0.946146146146146 128389.509176772 1628966.31442053
109 0.954054054054054 116181.269192666 1461881.26214057
110 0.961961961961962 105220.427948665 1313105.58854044
111 0.96986986986987 95370.8150631965 1180506.52237428
112 0.977777777777778 86512.0620605895 1062214.22841031
113 0.985685685685686 78537.6615470056 956587.631409627
114 0.993593593593594 71353.2777156585 862184.907570884
115 1.0015015015015 64875.2739831643 777737.975691965
116 1.00940940940941 59029.4284335794 702130.420101627
117 1.01731731731732 53749.81189545 634378.361670755
118 1.02522522522523 48977.8070126899 573613.864442237
119 1.03313313313313 44661.2496868075 519070.525714978
120 1.04104104104104 40753.676845256 470070.9485265
121 1.04894894894895 37213.6666952299 426015.838855806
122 1.05685685685686 34004.259510231 386374.506730216
123 1.06476476476476 31092.448615591 350676.581784611
124 1.07267267267267 28448.7326288378 318504.780541661
125 1.08058058058058 26046.7212051684 289488.58547266
126 1.08848848848849 23862.7875659534 263298.715361538
127 1.0963963963964 21875.7619734146 239642.28313507
128 1.1043043043043 20066.6610779819 218258.551566148
129 1.11221221221221 18418.4487238238 198915.209463256
130 1.12012012012012 16915.8243675607 181405.101431357
131 1.12802802802803 15545.0357578623 165543.353283554
132 1.13593593593594 14293.7129503183 151164.842916255
133 1.14384384384384 13150.7211018737 138121.973116962
134 1.15175175175175 12106.0298101191 126282.7085094
135 1.15965965965966 11150.5970415675 115528.843788015
136 1.16756756756757 10276.2659355046 105754.474665645
137 1.17547547547548 9475.67298102441 96864.6466504603
138 1.18338338338338 8742.16624870991 88774.1599628321
139 1.19129129129129 8069.73251873048 81406.5116695427
140 1.1991991991992 7452.93228706201 74692.9585112433
141 1.20710710710711 6886.84175377978 68571.6859803922
142 1.21501501501502 6367.00100427312 62987.0710146964
143 1.22292292292292 5889.36768778793 57889.0272427634
144 1.23083083083083 5450.2755796574 53232.4230863433
145 1.23873873873874 5046.39748543597 48976.5642148005
146 1.24664664664665 4674.71200820314 45084.7328859611
147 1.25455455455455 4332.47375567876 41523.7776136479
148 1.26246246246246 4017.18661246578 38263.7473936047
149 1.27037037037037 3726.57974555511 35277.5654112437
150 1.27827827827828 3458.58604892645 32540.7377598158
151 1.28618618618619 3211.32276629687 30031.0932274665
152 1.29409409409409 2983.07406036243 27728.5506759701
153 1.302002002002 2772.27532272997 25614.9109411674
154 1.30990990990991 2577.49904156926 23673.6705425755
155 1.31781781781782 2397.44206419847 21889.8548036497
156 1.32572572572573 2230.91410966747 20249.868260226
157 1.33363363363363 2076.82740220761 18741.3604775672
158 1.34154154154154 1934.18731041653 17353.1056103034
159 1.34944944944945 1802.08388945776 16074.8942280225
160 1.35735735735736 1679.68423456621 14897.4360954662
161 1.36526526526527 1566.22556392603 13812.2727429659
162 1.37317317317317 1461.0089576724 12811.6987922941
163 1.38108108108108 1363.39368749004 11888.6911176079
164 1.38898898898899 1272.79207815048 11036.8450224184
165 1.3968968968969 1188.66484844569 10250.316703162
166 1.4048048048048 1110.51688442366 9523.77134933087
167 1.41271271271271 1037.89340268805 8852.33630048977
168 1.42062062062062 970.376465856638 8231.55874291737
169 1.42852852852853 907.581816140095 7657.36748400312
170 1.43643643643644 849.155996456783 7126.03839173045
171 1.44434434434434 794.773731586385 6634.1631303015
172 1.45225225225225 744.135544625983 6178.6208618459
173 1.46016016016016 696.965586482727 5756.55261876078
174 1.46806806806807 653.009658349511 5365.33808204595
175 1.47597597597598 612.033409092167 5002.57452845643
176 1.48388388388388 573.820691253531 4666.05773377762
177 1.49179179179179 538.172060973772 4353.7646413708
178 1.4996996996997 504.903408557065 4063.83762463693
179 1.50760760760761 473.844707699495 3794.57018946455
180 1.51551551551552 444.838872547752 3544.3939782968
181 1.52342342342342 417.740712796229 3311.86695137625
182 1.53133133133133 392.41597796402 3095.66263318604
183 1.53923923923924 368.740482834001 2894.56032326288
184 1.54714714714715 346.599306793145 2707.43618055247
185 1.55505505505506 325.886060495508 2533.25509943799
186 1.56296296296296 306.502213884338 2371.06330360927
187 1.57087087087087 288.356480164599 2219.98159115205
188 1.57877877877878 271.364250817992 2079.19917071348
189 1.58668668668669 255.447077204697 1947.96803441786
190 1.59459459459459 240.532194704688 1825.59781843749
191 1.6025025025025 226.552085720713 1711.45110682683
192 1.61041041041041 213.444078199123 1604.93913846212
193 1.61831831831832 201.149976626888 1505.51788073902
194 1.62622622622623 189.615722736814 1412.68443711491
195 1.63413413413413 178.791083400799 1325.97375867632
196 1.64204204204204 168.629363415516 1244.95563270264
197 1.64994994994995 159.087141088569 1169.23192371459
198 1.65785785785786 150.124024717862 1098.4340447685
199 1.66576576576577 141.702428224486 1032.22063880965
200 1.67367367367367 133.787364351681 970.275451752177
201 1.68158158158158 126.3462539806 912.305380629519
202 1.68948948948949 119.348750239253 858.038681675334
203 1.6973973973974 112.766576195213 807.223324566786
204 1.70530530530531 106.573375026561 759.625480303939
205 1.71321321321321 100.74457166005 715.028131323907
206 1.72112112112112 95.2572449515898 673.229793467699
207 1.72902902902903 90.0900095624732 634.043340341578
208 1.73693693693694 85.2229067562569 597.294921453003
209 1.74484484484485 80.6373034062672 562.822966261471
210 1.75275275275275 76.3157985631158 530.477266975015
211 1.76066066066066 72.2421369857714 500.118133549981
212 1.76856856856857 68.4011290891813 471.615614921339
213 1.77647647647648 64.778576806597 444.848781008571
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778 6.24444444444444 -0.00112280736005503 -0.00106077901669196
779 6.25235235235235 -0.00111445479668572 -0.00105169399914813
780 6.26026026026026 -0.00110617373201778 -0.00104269602852446
781 6.26816816816817 -0.00109796348128615 -0.00103378419753018
782 6.27607607607608 -0.00108982336686118 -0.00102495760881352
783 6.28398398398398 -0.00108175271817044 -0.00101621537485362
784 6.29189189189189 -0.00107375087162144 -0.00100755661785339
785 6.2997997997998 -0.00106581717052509 -0.000998980469633437
786 6.30770770770771 -0.00105795096502015 -0.000990486071526979
787 6.31561561561562 -0.00105015161199834 -0.000982072574275764
788 6.32352352352352 -0.00104241847503037 -0.000973739137926984
789 6.33143143143143 -0.00103475092429278 -0.000965484931731175
790 6.33933933933934 -0.00102714833649554 -0.000957309134041133
791 6.34724724724725 -0.00101961009481047 -0.000949210932211783
792 6.35515515515516 -0.00101213558880043 -0.000941189522501062
793 6.36306306306306 -0.00100472421434934 -0.000933244109971758
794 6.37097097097097 -0.000997375373592915 -0.000925373908394334
795 6.37887887887888 -0.000990088474850179 -0.000917578140150712
796 6.38678678678679 -0.000982862932555759 -0.000909856036139029
797 6.39469469469469 -0.000975698167192903 -0.000902206835679338
798 6.4026026026026 -0.000968593605227258 -0.000894629786420275
799 6.41051051051051 -0.000961548679041368 -0.000887124144246663
800 6.41841841841842 -0.000954562826869908 -0.000879689173188063
801 6.42632632632633 -0.000947635492735633 -0.000872324145328256
802 6.43423423423423 -0.000940766126386043 -0.000865028340715658
803 6.44214214214214 -0.000933954183230753 -0.00085780104727466
804 6.45005005005005 -0.000927199124279545 -0.000850641560717872
805 6.45795795795796 -0.000920500416081144 -0.000843549184459303
806 6.46586586586587 -0.000913857530662637 -0.00083652322952842
807 6.47377377377377 -0.000907269945469599 -0.000829563014485122
808 6.48168168168168 -0.000900737143306875 -0.000822667865335604
809 6.48958958958959 -0.00089425861228002 -0.000815837115449096
810 6.4974974974975 -0.000887833845737405 -0.000809070105475501
811 6.5054054054054 -0.000881462342212959 -0.00080236618326388
812 6.51331331331331 -0.000875143605369564 -0.000795724703781823
813 6.52122122122122 -0.000868877143943076 -0.000789145029035675
814 6.52912912912913 -0.000862662471686972 -0.000782626527991605
815 6.53703703703704 -0.000856499107317632 -0.000776168576497534
816 6.54494494494494 -0.00085038657446021 -0.000769770557205887
817 6.55285285285285 -0.000844324401595139 -0.00076343185949719
818 6.56076076076076 -0.000838312122005221 -0.000757151879404482
819 6.56866866866867 -0.000832349273723316 -0.000750930019538554
820 6.57657657657658 -0.000826435399480619 -0.00074476568901399
821 6.58448448448448 -0.000820570046655518 -0.000738658303376018
822 6.59239239239239 -0.000814752767223025 -0.000732607284528152
823 6.6003003003003 -0.000808983117704786 -0.000726612060660638
824 6.60820820820821 -0.000803260659119639 -0.000720672066179661
825 6.61611611611612 -0.000797584956934739 -0.00071478674163735
826 6.62402402402402 -0.000791955581017233 -0.000708955533662538
827 6.63193193193193 -0.000786372105586471 -0.000703177894892288
828 6.63983983983984 -0.000780834109166773 -0.000697453283904181
829 6.64774774774775 -0.000775341174540702 -0.000691781165149336
830 6.65565565565566 -0.000769892888702892 -0.000686161008886194
831 6.66356356356356 -0.000764488842814377 -0.000680592291115012
832 6.67147147147147 -0.000759128632157443 -0.000675074493513102
833 6.67937937937938 -0.00075381185609099 -0.000669607103370786
834 6.68728728728729 -0.000748538118006393 -0.000664189613528059
835 6.6951951951952 -0.000743307025283866 -0.000658821522311969
836 6.7031031031031 -0.000738118189249314 -0.000653502333474682
837 6.71101101101101 -0.000732971225131676 -0.000648231556132256
838 6.71891891891892 -0.000727865752020748 -0.000643008704704096
839 6.72682682682683 -0.00072280139282548 -0.000637833298853078
840 6.73473473473473 -0.000717777774232747 -0.000632704863426364
841 6.74264264264264 -0.000712794526666584 -0.000627622928396869
842 6.75055055055055 -0.000707851284247878 -0.000622587028805389
843 6.75845845845846 -0.000702947684754526 -0.000617596704703393
844 6.76636636636637 -0.000698083369582024 -0.000612651501096444
845 6.77427427427427 -0.000693257983704526 -0.00060775096788828
846 6.78218218218218 -0.000688471175636315 -0.000602894659825503
847 6.79009009009009 -0.00068372259739373 -0.000598082136442918
848 6.797997997998 -0.000679011904457516 -0.000593312962009477
849 6.80590590590591 -0.000674338755735595 -0.000588586705474846
850 6.81381381381381 -0.000669702813526263 -0.000583902940416572
851 6.82172172172172 -0.000665103743481799 -0.000579261244987857
852 6.82962962962963 -0.000660541214572486 -0.000574661201865921
853 6.83753753753754 -0.000656014899051038 -0.000570102398200958
854 6.84544544544545 -0.000651524472417428 -0.000565584425565672
855 6.85335335335335 -0.000647069613384112 -0.000561106879905388
856 6.86126126126126 -0.000642650003841647 -0.000556669361488738
857 6.86916916916917 -0.000638265328824696 -0.000552271474858904
858 6.87707707707708 -0.000633915276478415 -0.000547912828785424
859 6.88498498498499 -0.000629599538025221 -0.000543593036216544
860 6.89289289289289 -0.000625317807731934 -0.000539311714232126
861 6.9008008008008 -0.000621069782877287 -0.000535068483997084
862 6.90870870870871 -0.000616855163719808 -0.000530862970715361
863 6.91661661661662 -0.000612673653466056 -0.000526694803584436
864 6.92452452452453 -0.00060852495823922 -0.000522563615750346
865 6.93243243243243 -0.000604408787048074 -0.000518469044263235
866 6.94034034034034 -0.00060032485175627 -0.000514410730033401
867 6.94824824824825 -0.000596272867051989 -0.000510388317787862
868 6.95615615615616 -0.000592252550417933 -0.000506401456027418
869 6.96406406406406 -0.000588263622101641 -0.000502449796984197
870 6.97197197197197 -0.000584305805086156 -0.000498532996579709
871 6.97987987987988 -0.00058037882506101 -0.000494650714383365
872 6.98778778778779 -0.00057648241039354 -0.000490802613571485
873 6.9956956956957 -0.000572616292100528 -0.00048698836088678
874 7.0036036036036 -0.000568780203820152 -0.000483207626598292
875 7.01151151151151 -0.000564973881784261 -0.000479460084461808
876 7.01941941941942 -0.000561197064790956 -0.000475745411680722
877 7.02732732732733 -0.000557449494177479 -0.000472063288867351
878 7.03523523523523 -0.00055373091379341 -0.000468413400004708
879 7.04314314314314 -0.000550041069974155 -0.000464795432408696
880 7.05105105105105 -0.000546379711514748 -0.000461209076690764
881 7.05895895895896 -0.000542746589643924 -0.000457654026720972
882 7.06686686686687 -0.000539141457998507 -0.000454129979591503
883 7.07477477477477 -0.000535564072598063 -0.000450636635580579
884 7.08268268268268 -0.000532014191819854 -0.000447173698116811
885 7.09059059059059 -0.000528491576374058 -0.00044374087374395
886 7.0984984984985 -0.000524995989279277 -0.000440337872086051
887 7.10640640640641 -0.000521527195838313 -0.000436964405813039
888 7.11431431431431 -0.000518084963614219 -0.000433620190606677
889 7.12222222222222 -0.000514669062406608 -0.000430304945126921
890 7.13013013013013 -0.000511279264228243 -0.000427018390978673
891 7.13803803803804 -0.000507915343281872 -0.000423760252678913
892 7.14594594594595 -0.00050457707593733 -0.000420530257624215
893 7.15385385385385 -0.000501264240708896 -0.00041732813605864
894 7.16176176176176 -0.000497976618232898 -0.000414153621041995
895 7.16966966966967 -0.000494713991245575 -0.00041100644841847
896 7.17757757757758 -0.000491476144561178 -0.000407886356785627
897 7.18548548548549 -0.000488262865050318 -0.000404793087463759
898 7.19339339339339 -0.000485073941618556 -0.000401726384465598
899 7.2013013013013 -0.00048190916518523 -0.000398685994466371
900 7.20920920920921 -0.000478768328662518 -0.000395671666774214
901 7.21711711711712 -0.00047565122693473 -0.000392683153300917
902 7.22502502502503 -0.000472557656837838 -0.000389720208533014
903 7.23293293293293 -0.000469487417139224 -0.00038678258950321
904 7.24084084084084 -0.000466440308517658 -0.000383870055762132
905 7.24874874874875 -0.000463416133543501 -0.000380982369350415
906 7.25665665665666 -0.000460414696659119 -0.000378119294771106
907 7.26456456456456 -0.000457435804159516 -0.000375280598962386
908 7.27247247247247 -0.000454479264173195 -0.000372466051270623
909 7.28038038038038 -0.000451544886643206 -0.000369675423423708
910 7.28828828828829 -0.00044863248330843 -0.000366908489504736
911 7.2961961961962 -0.000445741867685046 -0.000364165025925958
912 7.3041041041041 -0.000442872855048225 -0.000361444811403057
913 7.31201201201201 -0.000440025262414007 -0.000358747626929716
914 7.31991991991992 -0.000437198908521391 -0.000356073255752471
915 7.32782782782783 -0.000434393613814616 -0.000353421483345872
916 7.33573573573574 -0.000431609200425641 -0.000350792097387915
917 7.34364364364364 -0.000428845492156814 -0.000348184887735768
918 7.35155155155155 -0.000426102314463736 -0.000345599646401776
919 7.35945945945946 -0.000423379494438315 -0.000343036167529741
920 7.36736736736737 -0.000420676860791998 -0.000340494247371479
921 7.37527527527527 -0.000417994243839195 -0.000337973684263644
922 7.38318318318318 -0.000415331475480885 -0.000335474278604826
923 7.39109109109109 -0.000412688389188397 -0.000332995832832908
924 7.398998998999 -0.000410064819987373 -0.000330538151402687
925 7.40690690690691 -0.00040746060444191 -0.000328101040763753
926 7.41481481481481 -0.000404875580638866 -0.000325684309338625
927 7.42272272272272 -0.000402309588172346 -0.000323287767501134
928 7.43063063063063 -0.000399762468128358 -0.000320911227555062
929 7.43853853853854 -0.000397234063069631 -0.000318554503713026
930 7.44644644644645 -0.000394724217020609 -0.000316217412075599
931 7.45435435435435 -0.000392232775452594 -0.000313899770610683
932 7.46226226226226 -0.000389759585269069 -0.000311601399133107
933 7.47017017017017 -0.000387304494791166 -0.000309322119284474
934 7.47807807807808 -0.000384867353743301 -0.000307061754513223
935 7.48598598598599 -0.000382448013238969 -0.000304820130054942
936 7.49389389389389 -0.000380046325766678 -0.000302597072912885
937 7.5018018018018 -0.000377662145176055 -0.000300392411838731
938 7.50970970970971 -0.000375295326664094 -0.000298205977313553
939 7.51761761761762 -0.000372945726761551 -0.000296037601529015
940 7.52552552552553 -0.000370613203319494 -0.000293887118368774
941 7.53343343343343 -0.000368297615495993 -0.000291754363390109
942 7.54134134134134 -0.000365998823742959 -0.000289639173805747
943 7.54924924924925 -0.000363716689793124 -0.000287541388465912
944 7.55715715715716 -0.000361451076647161 -0.000285460847840564
945 7.56506506506507 -0.000359201848560945 -0.00028339739400186
946 7.57297297297297 -0.000356968871032954 -0.0002813508706068
947 7.58088088088088 -0.000354752010791798 -0.000279321122880079
948 7.58878878878879 -0.000352551135783899 -0.000277307997597141
949 7.5966966966967 -0.000350366115161283 -0.000275311343067412
950 7.6046046046046 -0.000348196819269523 -0.000273331009117744
951 7.61251251251251 -0.000346043119635803 -0.000271366847076031
952 7.62042042042042 -0.000343904888957107 -0.000269418709755023
953 7.62832832832833 -0.000341782001088548 -0.000267486451436326
954 7.63623623623624 -0.000339674331031807 -0.000265569927854572
955 7.64414414414414 -0.000337581754923712 -0.000263668996181791
956 7.65205205205205 -0.000335504150024927 -0.000261783515011939
957 7.65995995995996 -0.000333441394708771 -0.000259913344345619
958 7.66786786786787 -0.000331393368450154 -0.00025805834557497
959 7.67577577577578 -0.000329359951814629 -0.000256218381468727
960 7.68368368368368 -0.00032734102644757 -0.000254393316157455
961 7.69159159159159 -0.000325336475063456 -0.000252583015118948
962 7.6994994994995 -0.000323346181435274 -0.000250787345163799
963 7.70740740740741 -0.000321370030384043 -0.000249006174421126
964 7.71531531531532 -0.000319407907768433 -0.000247239372324471
965 7.72322322322322 -0.000317459700474511 -0.00024548680959785
966 7.73113113113113 -0.000315525296405592 -0.000243748358241967
967 7.73903903903904 -0.000313604584472191 -0.000242023891520585
968 7.74694694694695 -0.000311697454582096 -0.000240313283947045
969 7.75485485485486 -0.00030980379763053 -0.000238616411270949
970 7.76276276276276 -0.000307923505490438 -0.000236933150464985
971 7.77067067067067 -0.000306056471002855 -0.000235263379711905
972 7.77857857857858 -0.000304202587967397 -0.000233606978391649
973 7.78648648648649 -0.000302361751132841 -0.000231963827068618
974 7.79439439439439 -0.000300533856187804 -0.00023033380747909
975 7.8023023023023 -0.000298718799751533 -0.000228716802518773
976 7.81021021021021 -0.000296916479364781 -0.00022711269623051
977 7.81811811811812 -0.000295126793480781 -0.000225521373792109
978 7.82602602602603 -0.000293349641456325 -0.000223942721504324
979 7.83393393393393 -0.000291584923542924 -0.000222376626778964
980 7.84184184184184 -0.000289832540878074 -0.000220822978127136
981 7.84974974974975 -0.000288092395476606 -0.000219281665147624
982 7.85765765765766 -0.000286364390222131 -0.000217752578515398
983 7.86556556556557 -0.000284648428858575 -0.000216235609970251
984 7.87347347347347 -0.0002829444159818 -0.000214730652305566
985 7.88138138138138 -0.000281252257031324 -0.000213237599357209
986 7.88928928928929 -0.000279571858282109 -0.000211756345992543
987 7.8971971971972 -0.00027790312683646 -0.000210286788099574
988 7.9051051051051 -0.000276245970615985 -0.000208828822576211
989 7.91301301301301 -0.000274600298353657 -0.000207382347319651
990 7.92092092092092 -0.000272966019585954 -0.00020594726121588
991 7.92882882882883 -0.000271343044645077 -0.000204523464129295
992 7.93673673673674 -0.000269731284651256 -0.000203110856892442
993 7.94464464464464 -0.000268130651505134 -0.000201709341295865
994 7.95255255255255 -0.000266541057880229 -0.000200318820078075
995 7.96046046046046 -0.00026496241721548 -0.000198939196915626
996 7.96836836836837 -0.000263394643707865 -0.000197570376413304
997 7.97627627627628 -0.000261837652305103 -0.000196212264094427
998 7.98418418418418 -0.000260291358698422 -0.000194864766391251
999 7.99209209209209 -0.000258755679315414 -0.000193527790635484
1000 8 0 0
# Pair potential lj/cut for atom types 3 5: i,r,energy,force

lj_3_5
N 1000 R 0.1 8

1 0.1 6.6122195257322e+16 7.93466343493967e+18
2 0.107907907907908 2.65282127586127e+16 2.95009475702429e+18
3 0.115815815815816 1.13535797369014e+16 1.17637609381231e+18
4 0.123723723723724 5.13938878223217e+15 4.98470815813143e+17
5 0.131631631631632 2.4435660729419e+15 2.22764031638156e+17
6 0.13953953953954 1.21333251061377e+15 1.04343114721622e+17
7 0.147447447447447 626181389823245 5.09617280426413e+16
8 0.155355355355355 334528030408419 2.58397039780452e+16
9 0.163263263263263 184368015890696 1.35512188591058e+16
10 0.171171171171171 104515279663508 7.32707127915492e+15
11 0.179079079079079 60786763606704.6 4.07329085756246e+15
12 0.186986986986987 36191838155062.4 2.32263257652213e+15
13 0.194894894894895 22016165450524.6 1.3555716426488e+15
14 0.202802802802803 13660286237867.4 808289818611754
15 0.210710710710711 8631929445393.64 491589429105524
16 0.218618618618619 5547553075093.28 304505814927821
17 0.226526526526527 3621749554335.41 191858314891275
18 0.234434434434434 2399332077259.25 122814668599578
19 0.242342342342342 1611371060043.26 79789831765964.5
20 0.25025025025025 1096106894899.74 52560524431373.2
21 0.258158158158158 754600147274.046 35076184319665.9
22 0.266066066066066 525379648821.168 23695456635217.4
23 0.273973973973974 369688010433.523 16192257319531.7
24 0.281881881881882 262749013556.817 11185497099567.6
25 0.28978978978979 188516792908.721 7806355780338.83
26 0.297697697697698 136471273173.054 5501069958428.11
27 0.305605605605606 99634812795.5514 3912291627242.11
28 0.313513513513514 73328307330.586 2806705541220.92
29 0.321421421421421 54381222437.1855 2030278612568.07
30 0.329329329329329 40623915513.4305 1480242605375.35
31 0.337237237237237 30557677081.0022 1087342560530.68
32 0.345145145145145 23137971699.1616 804461266583.084
33 0.353053053053053 17630585937.5725 599250563392.23
34 0.360960960960961 13515230936.5365 449308851591.98
35 0.368868868868869 10420344969.8348 338993911943.878
36 0.376776776776777 8078606859.9091 257296707871.996
37 0.384684684684685 6296324008.21066 196410245643.791
38 0.392592592592593 4932197096.45009 150758005085.07
39 0.4005005005005 3882475034.21433 116328940306.615
40 0.408408408408408 3070500007.92944 90218729214.3436
41 0.416316316316316 2439291845.59249 70310912639.9667
42 0.424224224224224 1946252140.48348 55053658006.3844
43 0.432132132132132 1559357323.15725 43302381032.9229
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902 7.22502502502503 -0.000472557656837838 -0.000389720208533014
903 7.23293293293293 -0.000469487417139224 -0.00038678258950321
904 7.24084084084084 -0.000466440308517658 -0.000383870055762132
905 7.24874874874875 -0.000463416133543501 -0.000380982369350415
906 7.25665665665666 -0.000460414696659119 -0.000378119294771106
907 7.26456456456456 -0.000457435804159516 -0.000375280598962386
908 7.27247247247247 -0.000454479264173195 -0.000372466051270623
909 7.28038038038038 -0.000451544886643206 -0.000369675423423708
910 7.28828828828829 -0.00044863248330843 -0.000366908489504736
911 7.2961961961962 -0.000445741867685046 -0.000364165025925958
912 7.3041041041041 -0.000442872855048225 -0.000361444811403057
913 7.31201201201201 -0.000440025262414007 -0.000358747626929716
914 7.31991991991992 -0.000437198908521391 -0.000356073255752471
915 7.32782782782783 -0.000434393613814616 -0.000353421483345872
916 7.33573573573574 -0.000431609200425641 -0.000350792097387915
917 7.34364364364364 -0.000428845492156814 -0.000348184887735768
918 7.35155155155155 -0.000426102314463736 -0.000345599646401776
919 7.35945945945946 -0.000423379494438315 -0.000343036167529741
920 7.36736736736737 -0.000420676860791998 -0.000340494247371479
921 7.37527527527527 -0.000417994243839195 -0.000337973684263644
922 7.38318318318318 -0.000415331475480885 -0.000335474278604826
923 7.39109109109109 -0.000412688389188397 -0.000332995832832908
924 7.398998998999 -0.000410064819987373 -0.000330538151402687
925 7.40690690690691 -0.00040746060444191 -0.000328101040763753
926 7.41481481481481 -0.000404875580638866 -0.000325684309338625
927 7.42272272272272 -0.000402309588172346 -0.000323287767501134
928 7.43063063063063 -0.000399762468128358 -0.000320911227555062
929 7.43853853853854 -0.000397234063069631 -0.000318554503713026
930 7.44644644644645 -0.000394724217020609 -0.000316217412075599
931 7.45435435435435 -0.000392232775452594 -0.000313899770610683
932 7.46226226226226 -0.000389759585269069 -0.000311601399133107
933 7.47017017017017 -0.000387304494791166 -0.000309322119284474
934 7.47807807807808 -0.000384867353743301 -0.000307061754513223
935 7.48598598598599 -0.000382448013238969 -0.000304820130054942
936 7.49389389389389 -0.000380046325766678 -0.000302597072912885
937 7.5018018018018 -0.000377662145176055 -0.000300392411838731
938 7.50970970970971 -0.000375295326664094 -0.000298205977313553
939 7.51761761761762 -0.000372945726761551 -0.000296037601529015
940 7.52552552552553 -0.000370613203319494 -0.000293887118368774
941 7.53343343343343 -0.000368297615495993 -0.000291754363390109
942 7.54134134134134 -0.000365998823742959 -0.000289639173805747
943 7.54924924924925 -0.000363716689793124 -0.000287541388465912
944 7.55715715715716 -0.000361451076647161 -0.000285460847840564
945 7.56506506506507 -0.000359201848560945 -0.00028339739400186
946 7.57297297297297 -0.000356968871032954 -0.0002813508706068
947 7.58088088088088 -0.000354752010791798 -0.000279321122880079
948 7.58878878878879 -0.000352551135783899 -0.000277307997597141
949 7.5966966966967 -0.000350366115161283 -0.000275311343067412
950 7.6046046046046 -0.000348196819269523 -0.000273331009117744
951 7.61251251251251 -0.000346043119635803 -0.000271366847076031
952 7.62042042042042 -0.000343904888957107 -0.000269418709755023
953 7.62832832832833 -0.000341782001088548 -0.000267486451436326
954 7.63623623623624 -0.000339674331031807 -0.000265569927854572
955 7.64414414414414 -0.000337581754923712 -0.000263668996181791
956 7.65205205205205 -0.000335504150024927 -0.000261783515011939
957 7.65995995995996 -0.000333441394708771 -0.000259913344345619
958 7.66786786786787 -0.000331393368450154 -0.00025805834557497
959 7.67577577577578 -0.000329359951814629 -0.000256218381468727
960 7.68368368368368 -0.00032734102644757 -0.000254393316157455
961 7.69159159159159 -0.000325336475063456 -0.000252583015118948
962 7.6994994994995 -0.000323346181435274 -0.000250787345163799
963 7.70740740740741 -0.000321370030384043 -0.000249006174421126
964 7.71531531531532 -0.000319407907768433 -0.000247239372324471
965 7.72322322322322 -0.000317459700474511 -0.00024548680959785
966 7.73113113113113 -0.000315525296405592 -0.000243748358241967
967 7.73903903903904 -0.000313604584472191 -0.000242023891520585
968 7.74694694694695 -0.000311697454582096 -0.000240313283947045
969 7.75485485485486 -0.00030980379763053 -0.000238616411270949
970 7.76276276276276 -0.000307923505490438 -0.000236933150464985
971 7.77067067067067 -0.000306056471002855 -0.000235263379711905
972 7.77857857857858 -0.000304202587967397 -0.000233606978391649
973 7.78648648648649 -0.000302361751132841 -0.000231963827068618
974 7.79439439439439 -0.000300533856187804 -0.00023033380747909
975 7.8023023023023 -0.000298718799751533 -0.000228716802518773
976 7.81021021021021 -0.000296916479364781 -0.00022711269623051
977 7.81811811811812 -0.000295126793480781 -0.000225521373792109
978 7.82602602602603 -0.000293349641456325 -0.000223942721504324
979 7.83393393393393 -0.000291584923542924 -0.000222376626778964
980 7.84184184184184 -0.000289832540878074 -0.000220822978127136
981 7.84974974974975 -0.000288092395476606 -0.000219281665147624
982 7.85765765765766 -0.000286364390222131 -0.000217752578515398
983 7.86556556556557 -0.000284648428858575 -0.000216235609970251
984 7.87347347347347 -0.0002829444159818 -0.000214730652305566
985 7.88138138138138 -0.000281252257031324 -0.000213237599357209
986 7.88928928928929 -0.000279571858282109 -0.000211756345992543
987 7.8971971971972 -0.00027790312683646 -0.000210286788099574
988 7.9051051051051 -0.000276245970615985 -0.000208828822576211
989 7.91301301301301 -0.000274600298353657 -0.000207382347319651
990 7.92092092092092 -0.000272966019585954 -0.00020594726121588
991 7.92882882882883 -0.000271343044645077 -0.000204523464129295
992 7.93673673673674 -0.000269731284651256 -0.000203110856892442
993 7.94464464464464 -0.000268130651505134 -0.000201709341295865
994 7.95255255255255 -0.000266541057880229 -0.000200318820078075
995 7.96046046046046 -0.00026496241721548 -0.000198939196915626
996 7.96836836836837 -0.000263394643707865 -0.000197570376413304
997 7.97627627627628 -0.000261837652305103 -0.000196212264094427
998 7.98418418418418 -0.000260291358698422 -0.000194864766391251
999 7.99209209209209 -0.000258755679315414 -0.000193527790635484
1000 8 0 0
# Pair potential lj/cut for atom types 4 4: i,r,energy,force

lj_4_4
N 1000 R 0.1 8

1 0.1 4.72597669740627e+16 5.67117204008254e+18
2 0.107907907907908 1.89606099473342e+16 2.10853239564762e+18
3 0.115815815815816 8.11478703211644e+15 8.4079573961342e+17
4 0.123723723723724 3.67329480256031e+15 3.56273933511964e+17
5 0.131631631631632 1.74649923060628e+15 1.59216979755642e+17
6 0.13953953953954 867209738768702 7.45775494375616e+16
7 0.147447447447447 447552995224422 3.64240688242451e+16
8 0.155355355355355 239098485471849 1.84685094493518e+16
9 0.163263263263263 131774049824506 9.6855139555509e+15
10 0.171171171171171 74700601372953.8 5.23690539151321e+15
11 0.179079079079079 43446353565614.6 2.91131859263398e+15
12 0.186986986986987 25867529405986.2 1.66006397208977e+15
13 0.194894894894895 15735697204715.7 968872850099229
14 0.202802802802803 9763468035539.81 577712040462711
15 0.210710710710711 6169531560436.16 351355572415029
16 0.218618618618619 3965023569766.58 217640592847728
17 0.226526526526527 2588586736155.61 137127618892055
18 0.234434434434434 1714883670960.54 87779792357672.8
19 0.242342342342342 1151701314918.59 57028487975644.4
20 0.25025025025025 783424611404.821 37566782164260.5
21 0.258158158158158 539338203984.972 25070133647269.1
22 0.266066066066066 375506571940.366 16935943130656
23 0.273973973973974 264228499944.696 11573153131351.2
24 0.281881881881882 187795587606.05 7994652487507.62
25 0.28978978978979 134739312958.317 5579466054174.02
26 0.297697697697698 97540622802.0739 3931800419299.87
27 0.305605605605606 71212361019.5052 2796246890622.61
28 0.313513513513514 52410213612.8648 2006047180446.45
29 0.321421421421421 38868092599.0909 1451108637615.58
30 0.329329329329329 29035281131.1571 1057979332468.39
31 0.337237237237237 21840600928.9123 777160406406.807
32 0.345145145145145 16537487237.8712 574975596922.003
33 0.353053053053053 12601172925.975 428304581378.484
34 0.360960960960961 9659789977.10708 321136180113.756
35 0.368868868868869 7447770680.46406 242290370762.588
36 0.376776776776777 5774051565.73056 183898623104.068
37 0.384684684684685 4500193994.40482 140381015088.988
38 0.392592592592593 3525206574.55694 107751819453.09
39 0.4005005005005 2774934900.51969 83144206273.9542
40 0.408408408408408 2194589046.2984 64482358500.6894
41 0.416316316316316 1743443360.61837 50253571320.8168
42 0.424224224224224 1391051325.31058 39348697612.2376
43 0.432132132132132 1114524615.32064 30949664360.8243
44 0.44004004004004 896564786.084204 24449641988.9454
45 0.447947947947948 724030740.768216 19396022407.1942
46 0.455855855855856 586890025.577364 15449436090.7451
47 0.463763763763764 477446774.974466 12354120483.6758
48 0.471671671671672 389770230.045193 9916372038.46099
49 0.47957957957958 319269499.315938 7988789380.87219
50 0.487487487487487 262375532.531308 6458689253.54178
51 0.495395395395395 216302110.119545 5239545948.22803
52 0.503303303303303 178865364.844008 4264633313.52689
53 0.511211211211211 148346876.559816 3482279692.61045
54 0.519119119119119 123389359.281282 2852309966.0427
55 0.527027027027027 102916839.927054 2343365568.95826
56 0.534934934934935 86073324.0313553 1930876927.80979
57 0.542842842842843 72175476.5614287 1595522933.18377
58 0.550750750750751 60675972.4654212 1322055606.68027
59 0.558658658658659 51135003.3110807 1098399783.12026
60 0.566566566566567 43198043.2838829 914960765.021745
61 0.574474474474475 36578437.4041221 764089889.556196
62 0.582382382382382 31043718.6830668 639670471.366161
63 0.59029029029029 26404819.2831196 536795859.43136
64 0.598198198198198 22507535.6292916 451518244.425323
65 0.606106106106106 19225755.0074595 380652004.886255
66 0.614014014014014 16456063.3840636 321619243.620636
67 0.621921921921922 14113439.7953624 272328073.797393
68 0.62982982982983 12127808.2183114 231076411.621049
69 0.637737737737738 10441268.2220235 196475699.091185
70 0.645645645645646 9005864.55486712 167390248.947089
71 0.653553553553553 7781785.88661432 142888872.913156
72 0.661461461461461 6735906.26277489 122206197.082031
73 0.669369369369369 5840601.0019667 104711639.446617
74 0.677277277277277 5072782.96340691 89884465.2716967
75 0.685185185185185 4413116.23440387 77293677.0748718
76 0.693093093093093 3845373.02819302 66581760.7942961
77 0.701001001001001 3355906.47062935 57451515.9347917
78 0.708908908908909 2933217.39793356 49655358.5437088
79 0.716816816816817 2567597.60161624 42986612.0234529
80 0.724724724724725 2250835.38451199 37272399.8817552
81 0.732632632632633 1975972.02270065 32367832.5727075
82 0.740540540540541 1737099.90925907 28151242.2249795
83 0.748448448448448 1529194.90228239 24520267.8661017
84 0.756356356356356 1347976.80148611 21388632.5033996
85 0.764264264264264 1189793.00564778 18683484.264165
86 0.772172172172172 1051521.31282255 16343198.4048634
87 0.78008008008008 930488.560591786 14315556.6792815
88 0.787987987987988 824402.399329256 12556236.3322109
89 0.795895895895896 731293.975159665 11027553.661955
90 0.803803803803804 649469.692854439 9697417.30380487
91 0.811711711711712 577470.549826548 8538454.62629525
92 0.81961961961962 514037.794601967 7527281.2967902
93 0.827527527527528 458083.877831756 6643889.47526043
94 0.835435435435435 408667.840029413 5871134.48325398
95 0.843343343343343 364974.424982356 5194303.36670146
96 0.851251251251251 326296.327003618 4600751.68408856
97 0.859159159159159 292019.078552231 4079597.23183659
98 0.867067067067067 261608.166055409 3621461.36758372
99 0.874974974974975 234598.029091597 3218250.19067529
100 0.882882882882883 210582.653942625 2862969.15292916
101 0.890790790790791 189207.518932258 2549565.75436486
102 0.898698698698699 170162.687598702 2272795.87068303
103 0.906606606606607 153176.877957648 2028109.99635351
104 0.914514514514514 138012.363011622 1811556.2972074
105 0.922422422422422 124460.580162332 1619697.87217732
106 0.93033033033033 112338.346034303 1449542.04381796
107 0.938238238238238 101484.589036762 1298479.84657727
108 0.946146146146146 91757.5252847829 1164234.17282827
109 0.954054054054054 83032.2146897129 1044815.27952338
110 0.961961961961962 75198.4434602021 938482.561290912
111 0.96986986986987 68158.8872163353 843711.665667677
112 0.977777777777778 61827.5156491762 759166.168558971
113 0.985685685685686 56128.2053549206 683673.147557731
114 0.993593593593594 50993.5323020092 616202.091252146
115 1.0015015015015 46363.7194886738 555846.667259746
116 1.00940940940941 42185.7188325123 501808.943057678
117 1.01731731731732 38412.4092989407 453385.713899898
118 1.02522522522523 35001.8958023091 409956.643021979
119 1.03313313313313 31916.8955695987 370973.962430144
120 1.04104104104104 29124.2004986697 335953.519100344
121 1.04894894894895 26594.2056186858 304466.982416355
122 1.05685685685686 24300.4951097625 276135.055022355
123 1.06476476476476 22219.4784959359 250621.551682836
124 1.07267267267267 20330.0706188138 227628.229840476
125 1.08058058058058 18613.4098529294 206890.271852095
126 1.08848848848849 17052.6097583215 188172.332793611
127 1.0963963963964 15632.5399985568 171265.079618406
128 1.1043043043043 14339.6328980108 155982.157634021
129 1.11221221221221 13161.7124832253 142157.528986341
130 1.12012012012012 12087.8432602088 129643.135325162
131 1.12802802802803 11108.1963316888 118306.843253405
132 1.13593593593594 10213.9307632953 108030.636689585
133 1.14384384384384 9397.08837203038 98709.0250306266
134 1.15175175175175 8650.50033981196 90247.64010157
135 1.15965965965966 7967.70425417289 82561.9984146934
136 1.16756756756757 7342.87035148769 75576.4083137566
137 1.17547547547548 6770.7358889271 69223.0042180708
138 1.18338338338338 6246.54670273914 63440.8924643603
139 1.19129129129129 5766.00512503849 58175.3952218511
140 1.1991991991992 5325.22353129899 53377.3806703241
141 1.20710710710711 4920.68287811683 49002.6691184397
142 1.21501501501502 4549.19566721557 45011.5060317361
143 1.22292292292292 4207.87283853223 41368.0940630318
144 1.23083083083083 3894.09415379875 38040.1771554829
145 1.23873873873874 3605.48168339014 34998.6706399727
146 1.24664664664665 3339.87605427509 32217.3319907689
147 1.25455455455455 3095.31515648315 29672.4675510434
148 1.26246246246246 2870.01504029177 27342.6711054843
149 1.27037037037037 2662.35276693986 25208.5906716289
150 1.27827827827828 2470.85100261947 23252.7203140791
151 1.28618618618619 2294.16416923917 21459.2141644691
152 1.29409409409409 2131.06598638912 19813.7201619244
153 1.302002002002 1980.43825741553 18303.2313198162
154 1.30990990990991 1841.26076883097 16915.9525800856
155 1.31781781781782 1712.60218671273 15641.1815408515
156 1.32572572572573 1593.61184650011 14469.2015403092
157 1.33363363363363 1483.51234389727 13391.1857535372
158 1.34154154154154 1381.5928445945 12399.1111116831
159 1.34944944944945 1287.20303939104 11485.6809877014
160 1.35735735735736 1199.74767917325 10644.2557116053
161 1.36526526526527 1118.6816311881 9868.79008302924
162 1.37317317317317 1043.50540425965 9153.77714148636
163 1.38108108108108 973.761096114956 8494.19753654011
164 1.38898898898899 909.028720894963 7885.47391248461
165 1.3968968968969 848.92287929745 7323.4297861936
166 1.4048048048048 793.089737692459 6804.25245353759
167 1.41271271271271 741.204286022072 6324.45951006195
168 1.42062062062062 692.967847392722 5880.8686162259
169 1.42852852852853 648.105815032151 5470.57017709412
170 1.43643643643644 606.365594751812 5090.90264153577
171 1.44434434434434 567.514733261916 4739.43015723763
172 1.45225225225225 531.3392146596 4413.92234563165
173 1.46016016016016 497.641909176387 4112.33598556976
174 1.46806806806807 466.24115985233 3832.7984166047
175 1.47597597597598 436.969494220789 3573.59249236075
176 1.48388388388388 409.672449357834 3333.14293197643
177 1.49179179179179 384.207499789506 3110.00393321336
178 1.4996996996997 360.443078772707 2902.84792476213
179 1.50760760760761 338.257684383813 2710.45534772519
180 1.51551551551552 317.539062674314 2531.70536738478
181 1.52342342342342 298.183460894758 2365.56742631493
182 1.53133133133133 280.0949444557 2211.09355880235
183 1.53923923923924 263.184771895225 2067.41139451518
184 1.54714714714715 247.370822663648 1933.71778650183
185 1.55505505505506 232.577073023604 1809.27300500672
186 1.56296296296296 218.733115803345 1693.39544433348
187 1.57087087087087 205.773720137566 1585.45679514077
188 1.57877877877878 193.638427688053 1484.87763918494
189 1.58668668668669 182.271182159559 1391.1234276819
190 1.59459459459459 171.619989218398 1303.70080819908
191 1.6025025025025 161.63660418513 1222.1542683502
192 1.61041041041041 152.276245111482 1146.06306759117
193 1.61831831831832 143.497329067644 1075.03843113943
194 1.62622622622623 135.26122966163 1008.72098249292
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759 6.09419419419419 -0.0010214887797408 -0.000987969347064086
760 6.1021021021021 -0.00101371028774408 -0.000979314091085157
761 6.11001001001001 -0.00100599990511785 -0.000970743560450528
762 6.11791791791792 -0.000998356965428157 -0.000962256854890772
763 6.12582582582583 -0.000990780809320631 -0.000953853084147397
764 6.13373373373373 -0.000983270784441759 -0.000945531367863446
765 6.14164164164164 -0.00097582624536102 -0.000937290835475096
766 6.14954954954955 -0.000968446553493866 -0.000929130626104248
767 6.15745745745746 -0.000961131077025543 -0.00092104988845208
768 6.16536536536537 -0.000953879190835767 -0.00091304778069362
769 6.17327327327327 -0.000946690276424209 -0.000905123470373269
770 6.18118118118118 -0.000939563721836821 -0.000897276134301342
771 6.18908908908909 -0.000932498921592961 -0.000889504958451551
772 6.196996996997 -0.000925495276613337 -0.000881809137859501
773 6.2049049049049 -0.000918552194148743 -0.000874187876522135
774 6.21281281281281 -0.000911669087709587 -0.000866640387298164
775 6.22072072072072 -0.000904845376996205 -0.000859165891809462
776 6.22862862862863 -0.000898080487829945 -0.000851763620343423
777 6.23653653653654 -0.000891373852085029 -0.000844432811756286
778 6.24444444444444 -0.000884724907621173 -0.000837172713377411
779 6.25235235235235 -0.000878133098216946 -0.000829982580914504
780 6.26026026026026 -0.000871597873503901 -0.000822861678359809
781 6.26816816816817 -0.000865118688901415 -0.000815809277897213
782 6.27607607607608 -0.000858695005552286 -0.000808824659810321
783 6.28398398398398 -0.000852326290259039 -0.000801907112391449
784 6.29189189189189 -0.000846012015420943 -0.00079505593185154
785 6.2997997997998 -0.000839751658971756 -0.000788270422231024
786 6.30770770770771 -0.00083354470431815 -0.000781549895311571
787 6.31561561561562 -0.000827390640278844 -0.000774893670528778
788 6.32352352352352 -0.000821288961024423 -0.000768301074885754
789 6.33143143143143 -0.000815239166017825 -0.000761771442867603
790 6.33933933933934 -0.000809240759955518 -0.000755304116356807
791 6.34724724724725 -0.000803293252709328 -0.000748898444549496
792 6.35515515515516 -0.000797396159268934 -0.000742553783872603
793 6.36306306306306 -0.000791548999685011 -0.000736269497901898
794 6.37097097097097 -0.00078575129901302 -0.000730044957280884
795 6.37887887887888 -0.000780002587257636 -0.000723879539640567
796 6.38678678678679 -0.000774302399317801 -0.000717772629520082
797 6.39469469469469 -0.000768650274932413 -0.000711723618288163
798 6.4026026026026 -0.000763045758626619 -0.00070573190406547
799 6.41051051051051 -0.000757488399658731 -0.000699796891647742
800 6.41841841841842 -0.000751977751967739 -0.000693917992429798
801 6.42632632632633 -0.000746513374121423 -0.000688094624330339
802 6.43423423423423 -0.000741094829265061 -0.000682326211717597
803 6.44214214214214 -0.000735721685070714 -0.000676612185335775
804 6.45005005005005 -0.000730393513687092 -0.000670951982232295
805 6.45795795795796 -0.000725109891690003 -0.000665345045685855
806 6.46586586586587 -0.000719870400033348 -0.000659790825135265
807 6.47377377377377 -0.00071467462400069 -0.000654288776109073
808 6.48168168168168 -0.000709522153157378 -0.000648838360155972
809 6.48958958958959 -0.000704412581303202 -0.000643439044775969
810 6.4974974974975 -0.000699345506425611 -0.000638090303352325
811 6.5054054054054 -0.000694320530653448 -0.000632791615084253
812 6.51331331331331 -0.000689337260211224 -0.000627542464920355
813 6.52122122122122 -0.000684395305373914 -0.000622342343492821
814 6.52912912912913 -0.000679494280422269 -0.000617190747052346
815 6.53703703703704 -0.000674633803598642 -0.00061208717740379
816 6.54494494494494 -0.000669813497063311 -0.000607031141842551
817 6.55285285285285 -0.000665032986851319 -0.00060202215309166
818 6.56076076076076 -0.000660291902829794 -0.000597059729239585
819 6.56866866866867 -0.000655589878655765 -0.000592143393678734
820 6.57657657657658 -0.000650926551734456 -0.000587272675044655
821 6.58448448448448 -0.000646301563178069 -0.000582447107155927
822 6.59239239239239 -0.000641714557765024 -0.000577666228954725
823 6.6003003003003 -0.000637165183899683 -0.000572929584448075
824 6.60820820820821 -0.000632653093572521 -0.00056823672264976
825 6.61611611611612 -0.000628177942320766 -0.000563587197522903
826 6.62402402402402 -0.000623739389189479 -0.000558980567923192
827 6.63193193193193 -0.000619337096693093 -0.000554416397542768
828 6.63983983983984 -0.000614970730777383 -0.000549894254854742
829 6.64774774774775 -0.000610639960781873 -0.000545413713058351
830 6.65565565565566 -0.000606344459402683 -0.000540974350024752
831 6.66356356356356 -0.000602083902655792 -0.000536575748243424
832 6.67147147147147 -0.000597857969840728 -0.000532217494769192
833 6.67937937937938 -0.000593666343504675 -0.000527899181169874
834 6.68728728728729 -0.000589508709406984 -0.0005236204034745
835 6.6951951951952 -0.000585384756484104 -0.000519380762122166
836 6.7031031031031 -0.000581294176814901 -0.000515179861911442
837 6.71101101101101 -0.000577236665586388 -0.000511017311950394
838 6.71891891891892 -0.000573211921059839 -0.000506892725607167
839 6.72682682682683 -0.000569219644537292 -0.000502805720461145
840 6.73473473473473 -0.000565259540328442 -0.000498755918254676
841 6.74264264264264 -0.000561331315717907 -0.000494742944845359
842 6.75055055055055 -0.000557434680932873 -0.000490766430158881
843 6.75845845845846 -0.000553569349111108 -0.000486826008142404
844 6.76636636636637 -0.000549735036269343 -0.000482921316718496
845 6.77427427427427 -0.000545931461272018 -0.000479051997739594
846 6.78218218218218 -0.000542158345800379 -0.000475217696942994
847 6.79009009009009 -0.000538415414321934 -0.000471418063906376
848 6.797997997998 -0.000534702394060261 -0.000467652752003837
849 6.80590590590591 -0.000531019014965155 -0.000463921418362441
850 6.81381381381381 -0.000527365009683121 -0.000460223723819278
851 6.82172172172172 -0.000523740113528204 -0.000456559332879017
852 6.82962962962963 -0.000520144064453153 -0.000452927913671966
853 6.83753753753754 -0.000516576603020912 -0.00044932913791261
854 6.84544544544545 -0.00051303747237644 -0.000445762680858644
855 6.85335335335335 -0.000509526418218854 -0.00044222822127048
856 6.86126126126126 -0.000506043188773884 -0.000438725441371228
857 6.86916916916917 -0.000502587534766651 -0.000435254026807149
858 6.87707707707708 -0.000499159209394749 -0.000431813666608566
859 6.88498498498499 -0.000495757968301642 -0.000428404053151241
860 6.89289289289289 -0.000492383569550352 -0.000425024882118194
861 6.9008008008008 -0.000489035773597462 -0.000421675852461984
862 6.90870870870871 -0.000485714343267405 -0.000418356666367414
863 6.91661661661662 -0.00048241904372705 -0.000415067029214694
864 6.92452452452453 -0.000479149642460579 -0.000411806649543022
865 6.93243243243243 -0.000475905909244648 -0.000408575239014599
866 6.94034034034034 -0.000472687616123829 -0.000405372512379063
867 6.94824824824825 -0.000469494537386336 -0.000402198187438345
868 6.95615615615616 -0.000466326449540027 -0.000399051985011938
869 6.96406406406406 -0.000463183131288673 -0.000395933628902566
870 6.97197197197197 -0.000460064363508508 -0.000392842845862273
871 6.97987987987988 -0.000456969929225032 -0.000389779365558892
872 6.98778778778779 -0.000453899613590086 -0.000386742920542921
873 6.9956956956957 -0.000450853203859191 -0.000383733246214787
874 7.0036036036036 -0.000447830489369131 -0.000380750080792488
875 7.01151151151151 -0.000444831261515806 -0.000377793165279627
876 7.01941941941942 -0.000441855313732325 -0.000374862243433814
877 7.02732732732733 -0.000438902441467351 -0.000371957061735439
878 7.03523523523523 -0.000435972442163695 -0.000369077369356821
879 7.04314314314314 -0.000433065115237143 -0.000366222918131711
880 7.05105105105105 -0.000430180262055539 -0.000363393462525161
881 7.05895895895896 -0.000427317685918082 -0.000360588759603743
882 7.06686686686687 -0.000424477192034882 -0.000357808569006119
883 7.07477477477477 -0.00042165858750673 -0.000355052652913962
884 7.08268268268268 -0.0004188616813051 -0.000352320776023216
885 7.09059059059059 -0.000416086284252382 -0.000349612705515693
886 7.0984984984985 -0.000413332209002336 -0.000346928211031004
887 7.10640640640641 -0.000410599270020761 -0.00034426706463883
888 7.11431431431431 -0.000407887283566394 -0.000341629040811505
889 7.12222222222222 -0.00040519606767201 -0.000339013916396932
890 7.13013013013013 -0.000402525442125748 -0.000336421470591813
891 7.13803803803804 -0.000399875228452637 -0.000333851484915199
892 7.14594594594595 -0.000397245249896339 -0.000331303743182343
893 7.15385385385385 -0.00039463533140109 -0.000328778031478872
894 7.16176176176176 -0.00039204529959385 -0.000326274138135252
895 7.16966966966967 -0.000389474982766649 -0.00032379185370156
896 7.17757757757758 -0.000386924210859131 -0.000321330970922551
897 7.18548548548549 -0.000384392815441302 -0.000318891284713019
898 7.19339339339339 -0.000381880629696463 -0.000316472592133447
899 7.2013013013013 -0.000379387488404336 -0.000314074692365941
900 7.20920920920921 -0.000376913227924382 -0.000311697386690453
901 7.21711711711712 -0.000374457686179307 -0.000309340478461279
902 7.22502502502503 -0.000372020702638744 -0.000307003773083833
903 7.23293293293293 -0.000369602118303131 -0.000304687077991696
904 7.24084084084084 -0.000367201775687757 -0.000302390202623935
905 7.24874874874875 -0.000364819518806996 -0.000300112958402684
906 7.25665665665666 -0.000362455193158708 -0.000297855158710996
907 7.26456456456456 -0.000360108645708823 -0.000295616618870948
908 7.27247247247247 -0.000357779724876091 -0.000293397156122005
909 7.28038038038038 -0.000355468280517005 -0.00029119658959964
910 7.28828828828829 -0.00035317416391089 -0.000289014740314203
911 7.2961961961962 -0.000350897227745163 -0.00028685143113004
912 7.3041041041041 -0.000348637326100747 -0.00028470648674485
913 7.31201201201201 -0.000346394314437662 -0.000282579733669295
914 7.31991991991992 -0.00034416804958076 -0.000280471000206841
915 7.32782782782783 -0.000341958389705633 -0.000278380116433837
916 7.33573573573574 -0.000339765194324669 -0.000276306914179827
917 7.34364364364364 -0.00033758832427326 -0.000274251227008093
918 7.35155155155155 -0.000335427641696179 -0.00027221289019643
919 7.35945945945946 -0.000333283010034087 -0.000270191740718136
920 7.36736736736737 -0.000331154294010203 -0.000268187617223236
921 7.37527527527527 -0.000329041359617119 -0.000266200360019916
922 7.38318318318318 -0.00032694407410376 -0.000264229811056179
923 7.39109109109109 -0.000324862305962487 -0.000262275813901716
924 7.398998998999 -0.000322795924916343 -0.000260338213729984
925 7.40690690690691 -0.000320744801906446 -0.000258416857300502
926 7.41481481481481 -0.000318708809079509 -0.00025651159294134
927 7.42272272272272 -0.000316687819775509 -0.000254622270531829
928 7.43063063063063 -0.000314681708515486 -0.000252748741485458
929 7.43853853853854 -0.000312690350989478 -0.000250890858732982
930 7.44644644644645 -0.000310713624044588 -0.000249048476705714
931 7.45435435435435 -0.000308751405673186 -0.000247221451319029
932 7.46226226226226 -0.000306803575001236 -0.000245409639956043
933 7.47017017017017 -0.00030487001227675 -0.000243612901451491
934 7.47807807807808 -0.000302950598858378 -0.000241831096075792
935 7.48598598598599 -0.000301045217204112 -0.000240064085519301
936 7.49389389389389 -0.000299153750860123 -0.000238311732876736
937 7.5018018018018 -0.000297276084449712 -0.000236573902631795
938 7.50970970970971 -0.000295412103662391 -0.000234850460641949
939 7.51761761761762 -0.000293561695243073 -0.000233141274123407
940 7.52552552552553 -0.000291724746981394 -0.000231446211636265
941 7.53343343343343 -0.000289901147701136 -0.000229765143069818
942 7.54134134134134 -0.000288090787249778 -0.000228097939628044
943 7.54924924924925 -0.000286293556488156 -0.000226444473815266
944 7.55715715715716 -0.000284509347280234 -0.000224804619421964
945 7.56506506506507 -0.000282738052482992 -0.000223178251510766
946 7.57297297297297 -0.000280979565936415 -0.00022156524640259
947 7.58088088088088 -0.000279233782453606 -0.000219965481662957
948 7.58878878878879 -0.000277500597810987 -0.000218378836088451
949 7.5966966966967 -0.000275779908738626 -0.000216805189693346
950 7.6046046046046 -0.000274071612910655 -0.000215244423696379
951 7.61251251251251 -0.000272375608935796 -0.00021369642050768
952 7.62042042042042 -0.000270691796347995 -0.000212161063715855
953 7.62832832832833 -0.00026902007559715 -0.000210638238075214
954 7.63623623623624 -0.000267360348039944 -0.000209127829493146
955 7.64414414414414 -0.000265712515930777 -0.000207629725017641
956 7.65205205205205 -0.000264076482412791 -0.00020614381282496
957 7.65995995995996 -0.000262452151509003 -0.000204669982207437
958 7.66786786786787 -0.000260839428113519 -0.000203208123561433
959 7.67577577577578 -0.000259238217982856 -0.000201758128375418
960 7.68368368368368 -0.000257648427727352 -0.000200319889218197
961 7.69159159159159 -0.000256069964802667 -0.000198893299727268
962 7.6994994994995 -0.000254502737501377 -0.000197478254597316
963 7.70740740740741 -0.000252946654944661 -0.000196074649568838
964 7.71531531531532 -0.000251401627074077 -0.000194682381416896
965 7.72322322322322 -0.000249867564643418 -0.000193301347940003
966 7.73113113113113 -0.000248344379210669 -0.000191931447949135
967 7.73903903903904 -0.000246831983130042 -0.000190572581256865
968 7.74694694694695 -0.000245330289544095 -0.000189224648666629
969 7.75485485485486 -0.000243839212375941 -0.00018788755196211
970 7.76276276276276 -0.000242358666321539 -0.00018656119389674
971 7.77067067067067 -0.000240888566842062 -0.00018524547818333
972 7.77857857857858 -0.000239428830156356 -0.000183940309483813
973 7.78648648648649 -0.000237979373233472 -0.000182645593399105
974 7.79439439439439 -0.000236540113785279 -0.000181361236459083
975 7.8023023023023 -0.000235110970259161 -0.000180087146112674
976 7.81021021021021 -0.000233691861830784 -0.000178823230718063
977 7.81811811811812 -0.000232282708396946 -0.000177569399533003
978 7.82602602602603 -0.000230883430568503 -0.000176325562705249
979 7.83393393393393 -0.000229493949663364 -0.000175091631263084
980 7.84184184184184 -0.000228114187699569 -0.000173867517105971
981 7.84974974974975 -0.000226744067388434 -0.000172653132995291
982 7.85765765765766 -0.000225383512127773 -0.000171448392545207
983 7.86556556556557 -0.000224032445995188 -0.000170253210213614
984 7.87347347347347 -0.000222690793741434 -0.000169067501293202
985 7.88138138138138 -0.000221358480783854 -0.000167891181902622
986 7.88928928928929 -0.000220035433199876 -0.000166724168977737
987 7.8971971971972 -0.000218721577720592 -0.000165566380262992
988 7.9051051051051 -0.000217416841724394 -0.000164417734302871
989 7.91301301301301 -0.00021612115323068 -0.000163278150433444
990 7.92092092092092 -0.00021483444089363 -0.000162147548774027
991 7.92882882882883 -0.000213556633996042 -0.000161025850218922
992 7.93673673673674 -0.000212287662443238 -0.000159912976429254
993 7.94464464464464 -0.000211027456757032 -0.000158808849824902
994 7.95255255255255 -0.000209775948069759 -0.000157713393576521
995 7.96046046046046 -0.000208533068118372 -0.000156626531597648
996 7.96836836836837 -0.000207298749238598 -0.000155548188536908
997 7.97627627627628 -0.000206072924359152 -0.000154478289770294
998 7.98418418418418 -0.00020485552699602 -0.000153416761393547
999 7.99209209209209 -0.000203646491246796 -0.000152363530214613
1000 8 0 0
# Pair potential lj/cut for atom types 4 5: i,r,energy,force

lj_4_5
N 1000 R 0.1 8

1 0.1 4.72597669740627e+16 5.67117204008254e+18
2 0.107907907907908 1.89606099473342e+16 2.10853239564762e+18
3 0.115815815815816 8.11478703211644e+15 8.4079573961342e+17
4 0.123723723723724 3.67329480256031e+15 3.56273933511964e+17
5 0.131631631631632 1.74649923060628e+15 1.59216979755642e+17
6 0.13953953953954 867209738768702 7.45775494375616e+16
7 0.147447447447447 447552995224422 3.64240688242451e+16
8 0.155355355355355 239098485471849 1.84685094493518e+16
9 0.163263263263263 131774049824506 9.6855139555509e+15
10 0.171171171171171 74700601372953.8 5.23690539151321e+15
11 0.179079079079079 43446353565614.6 2.91131859263398e+15
12 0.186986986986987 25867529405986.2 1.66006397208977e+15
13 0.194894894894895 15735697204715.7 968872850099229
14 0.202802802802803 9763468035539.81 577712040462711
15 0.210710710710711 6169531560436.16 351355572415029
16 0.218618618618619 3965023569766.58 217640592847728
17 0.226526526526527 2588586736155.61 137127618892055
18 0.234434434434434 1714883670960.54 87779792357672.8
19 0.242342342342342 1151701314918.59 57028487975644.4
20 0.25025025025025 783424611404.821 37566782164260.5
21 0.258158158158158 539338203984.972 25070133647269.1
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880 7.05105105105105 -0.000430180262055539 -0.000363393462525161
881 7.05895895895896 -0.000427317685918082 -0.000360588759603743
882 7.06686686686687 -0.000424477192034882 -0.000357808569006119
883 7.07477477477477 -0.00042165858750673 -0.000355052652913962
884 7.08268268268268 -0.0004188616813051 -0.000352320776023216
885 7.09059059059059 -0.000416086284252382 -0.000349612705515693
886 7.0984984984985 -0.000413332209002336 -0.000346928211031004
887 7.10640640640641 -0.000410599270020761 -0.00034426706463883
888 7.11431431431431 -0.000407887283566394 -0.000341629040811505
889 7.12222222222222 -0.00040519606767201 -0.000339013916396932
890 7.13013013013013 -0.000402525442125748 -0.000336421470591813
891 7.13803803803804 -0.000399875228452637 -0.000333851484915199
892 7.14594594594595 -0.000397245249896339 -0.000331303743182343
893 7.15385385385385 -0.00039463533140109 -0.000328778031478872
894 7.16176176176176 -0.00039204529959385 -0.000326274138135252
895 7.16966966966967 -0.000389474982766649 -0.00032379185370156
896 7.17757757757758 -0.000386924210859131 -0.000321330970922551
897 7.18548548548549 -0.000384392815441302 -0.000318891284713019
898 7.19339339339339 -0.000381880629696463 -0.000316472592133447
899 7.2013013013013 -0.000379387488404336 -0.000314074692365941
900 7.20920920920921 -0.000376913227924382 -0.000311697386690453
901 7.21711711711712 -0.000374457686179307 -0.000309340478461279
902 7.22502502502503 -0.000372020702638744 -0.000307003773083833
903 7.23293293293293 -0.000369602118303131 -0.000304687077991696
904 7.24084084084084 -0.000367201775687757 -0.000302390202623935
905 7.24874874874875 -0.000364819518806996 -0.000300112958402684
906 7.25665665665666 -0.000362455193158708 -0.000297855158710996
907 7.26456456456456 -0.000360108645708823 -0.000295616618870948
908 7.27247247247247 -0.000357779724876091 -0.000293397156122005
909 7.28038038038038 -0.000355468280517005 -0.00029119658959964
910 7.28828828828829 -0.00035317416391089 -0.000289014740314203
911 7.2961961961962 -0.000350897227745163 -0.00028685143113004
912 7.3041041041041 -0.000348637326100747 -0.00028470648674485
913 7.31201201201201 -0.000346394314437662 -0.000282579733669295
914 7.31991991991992 -0.00034416804958076 -0.000280471000206841
915 7.32782782782783 -0.000341958389705633 -0.000278380116433837
916 7.33573573573574 -0.000339765194324669 -0.000276306914179827
917 7.34364364364364 -0.00033758832427326 -0.000274251227008093
918 7.35155155155155 -0.000335427641696179 -0.00027221289019643
919 7.35945945945946 -0.000333283010034087 -0.000270191740718136
920 7.36736736736737 -0.000331154294010203 -0.000268187617223236
921 7.37527527527527 -0.000329041359617119 -0.000266200360019916
922 7.38318318318318 -0.00032694407410376 -0.000264229811056179
923 7.39109109109109 -0.000324862305962487 -0.000262275813901716
924 7.398998998999 -0.000322795924916343 -0.000260338213729984
925 7.40690690690691 -0.000320744801906446 -0.000258416857300502
926 7.41481481481481 -0.000318708809079509 -0.00025651159294134
927 7.42272272272272 -0.000316687819775509 -0.000254622270531829
928 7.43063063063063 -0.000314681708515486 -0.000252748741485458
929 7.43853853853854 -0.000312690350989478 -0.000250890858732982
930 7.44644644644645 -0.000310713624044588 -0.000249048476705714
931 7.45435435435435 -0.000308751405673186 -0.000247221451319029
932 7.46226226226226 -0.000306803575001236 -0.000245409639956043
933 7.47017017017017 -0.00030487001227675 -0.000243612901451491
934 7.47807807807808 -0.000302950598858378 -0.000241831096075792
935 7.48598598598599 -0.000301045217204112 -0.000240064085519301
936 7.49389389389389 -0.000299153750860123 -0.000238311732876736
937 7.5018018018018 -0.000297276084449712 -0.000236573902631795
938 7.50970970970971 -0.000295412103662391 -0.000234850460641949
939 7.51761761761762 -0.000293561695243073 -0.000233141274123407
940 7.52552552552553 -0.000291724746981394 -0.000231446211636265
941 7.53343343343343 -0.000289901147701136 -0.000229765143069818
942 7.54134134134134 -0.000288090787249778 -0.000228097939628044
943 7.54924924924925 -0.000286293556488156 -0.000226444473815266
944 7.55715715715716 -0.000284509347280234 -0.000224804619421964
945 7.56506506506507 -0.000282738052482992 -0.000223178251510766
946 7.57297297297297 -0.000280979565936415 -0.00022156524640259
947 7.58088088088088 -0.000279233782453606 -0.000219965481662957
948 7.58878878878879 -0.000277500597810987 -0.000218378836088451
949 7.5966966966967 -0.000275779908738626 -0.000216805189693346
950 7.6046046046046 -0.000274071612910655 -0.000215244423696379
951 7.61251251251251 -0.000272375608935796 -0.00021369642050768
952 7.62042042042042 -0.000270691796347995 -0.000212161063715855
953 7.62832832832833 -0.00026902007559715 -0.000210638238075214
954 7.63623623623624 -0.000267360348039944 -0.000209127829493146
955 7.64414414414414 -0.000265712515930777 -0.000207629725017641
956 7.65205205205205 -0.000264076482412791 -0.00020614381282496
957 7.65995995995996 -0.000262452151509003 -0.000204669982207437
958 7.66786786786787 -0.000260839428113519 -0.000203208123561433
959 7.67577577577578 -0.000259238217982856 -0.000201758128375418
960 7.68368368368368 -0.000257648427727352 -0.000200319889218197
961 7.69159159159159 -0.000256069964802667 -0.000198893299727268
962 7.6994994994995 -0.000254502737501377 -0.000197478254597316
963 7.70740740740741 -0.000252946654944661 -0.000196074649568838
964 7.71531531531532 -0.000251401627074077 -0.000194682381416896
965 7.72322322322322 -0.000249867564643418 -0.000193301347940003
966 7.73113113113113 -0.000248344379210669 -0.000191931447949135
967 7.73903903903904 -0.000246831983130042 -0.000190572581256865
968 7.74694694694695 -0.000245330289544095 -0.000189224648666629
969 7.75485485485486 -0.000243839212375941 -0.00018788755196211
970 7.76276276276276 -0.000242358666321539 -0.00018656119389674
971 7.77067067067067 -0.000240888566842062 -0.00018524547818333
972 7.77857857857858 -0.000239428830156356 -0.000183940309483813
973 7.78648648648649 -0.000237979373233472 -0.000182645593399105
974 7.79439439439439 -0.000236540113785279 -0.000181361236459083
975 7.8023023023023 -0.000235110970259161 -0.000180087146112674
976 7.81021021021021 -0.000233691861830784 -0.000178823230718063
977 7.81811811811812 -0.000232282708396946 -0.000177569399533003
978 7.82602602602603 -0.000230883430568503 -0.000176325562705249
979 7.83393393393393 -0.000229493949663364 -0.000175091631263084
980 7.84184184184184 -0.000228114187699569 -0.000173867517105971
981 7.84974974974975 -0.000226744067388434 -0.000172653132995291
982 7.85765765765766 -0.000225383512127773 -0.000171448392545207
983 7.86556556556557 -0.000224032445995188 -0.000170253210213614
984 7.87347347347347 -0.000222690793741434 -0.000169067501293202
985 7.88138138138138 -0.000221358480783854 -0.000167891181902622
986 7.88928928928929 -0.000220035433199876 -0.000166724168977737
987 7.8971971971972 -0.000218721577720592 -0.000165566380262992
988 7.9051051051051 -0.000217416841724394 -0.000164417734302871
989 7.91301301301301 -0.00021612115323068 -0.000163278150433444
990 7.92092092092092 -0.00021483444089363 -0.000162147548774027
991 7.92882882882883 -0.000213556633996042 -0.000161025850218922
992 7.93673673673674 -0.000212287662443238 -0.000159912976429254
993 7.94464464464464 -0.000211027456757032 -0.000158808849824902
994 7.95255255255255 -0.000209775948069759 -0.000157713393576521
995 7.96046046046046 -0.000208533068118372 -0.000156626531597648
996 7.96836836836837 -0.000207298749238598 -0.000155548188536908
997 7.97627627627628 -0.000206072924359152 -0.000154478289770294
998 7.98418418418418 -0.00020485552699602 -0.000153416761393547
999 7.99209209209209 -0.000203646491246796 -0.000152363530214613
1000 8 0 0
# Pair potential lj/cut for atom types 5 5: i,r,energy,force

lj_5_5
N 1000 R 0.1 8

1 0.1 4.72597669740627e+16 5.67117204008254e+18
2 0.107907907907908 1.89606099473342e+16 2.10853239564762e+18
3 0.115815815815816 8.11478703211644e+15 8.4079573961342e+17
4 0.123723723723724 3.67329480256031e+15 3.56273933511964e+17
5 0.131631631631632 1.74649923060628e+15 1.59216979755642e+17
6 0.13953953953954 867209738768702 7.45775494375616e+16
7 0.147447447447447 447552995224422 3.64240688242451e+16
8 0.155355355355355 239098485471849 1.84685094493518e+16
9 0.163263263263263 131774049824506 9.6855139555509e+15
10 0.171171171171171 74700601372953.8 5.23690539151321e+15
11 0.179079079079079 43446353565614.6 2.91131859263398e+15
12 0.186986986986987 25867529405986.2 1.66006397208977e+15
13 0.194894894894895 15735697204715.7 968872850099229
14 0.202802802802803 9763468035539.81 577712040462711
15 0.210710710710711 6169531560436.16 351355572415029
16 0.218618618618619 3965023569766.58 217640592847728
17 0.226526526526527 2588586736155.61 137127618892055
18 0.234434434434434 1714883670960.54 87779792357672.8
19 0.242342342342342 1151701314918.59 57028487975644.4
20 0.25025025025025 783424611404.821 37566782164260.5
21 0.258158158158158 539338203984.972 25070133647269.1
22 0.266066066066066 375506571940.366 16935943130656
23 0.273973973973974 264228499944.696 11573153131351.2
24 0.281881881881882 187795587606.05 7994652487507.62
25 0.28978978978979 134739312958.317 5579466054174.02
26 0.297697697697698 97540622802.0739 3931800419299.87
27 0.305605605605606 71212361019.5052 2796246890622.61
28 0.313513513513514 52410213612.8648 2006047180446.45
29 0.321421421421421 38868092599.0909 1451108637615.58
30 0.329329329329329 29035281131.1571 1057979332468.39
31 0.337237237237237 21840600928.9123 777160406406.807
32 0.345145145145145 16537487237.8712 574975596922.003
33 0.353053053053053 12601172925.975 428304581378.484
34 0.360960960960961 9659789977.10708 321136180113.756
35 0.368868868868869 7447770680.46406 242290370762.588
36 0.376776776776777 5774051565.73056 183898623104.068
37 0.384684684684685 4500193994.40482 140381015088.988
38 0.392592592592593 3525206574.55694 107751819453.09
39 0.4005005005005 2774934900.51969 83144206273.9542
40 0.408408408408408 2194589046.2984 64482358500.6894
41 0.416316316316316 1743443360.61837 50253571320.8168
42 0.424224224224224 1391051325.31058 39348697612.2376
43 0.432132132132132 1114524615.32064 30949664360.8243
44 0.44004004004004 896564786.084204 24449641988.9454
45 0.447947947947948 724030740.768216 19396022407.1942
46 0.455855855855856 586890025.577364 15449436090.7451
47 0.463763763763764 477446774.974466 12354120483.6758
48 0.471671671671672 389770230.045193 9916372038.46099
49 0.47957957957958 319269499.315938 7988789380.87219
50 0.487487487487487 262375532.531308 6458689253.54178
51 0.495395395395395 216302110.119545 5239545948.22803
52 0.503303303303303 178865364.844008 4264633313.52689
53 0.511211211211211 148346876.559816 3482279692.61045
54 0.519119119119119 123389359.281282 2852309966.0427
55 0.527027027027027 102916839.927054 2343365568.95826
56 0.534934934934935 86073324.0313553 1930876927.80979
57 0.542842842842843 72175476.5614287 1595522933.18377
58 0.550750750750751 60675972.4654212 1322055606.68027
59 0.558658658658659 51135003.3110807 1098399783.12026
60 0.566566566566567 43198043.2838829 914960765.021745
61 0.574474474474475 36578437.4041221 764089889.556196
62 0.582382382382382 31043718.6830668 639670471.366161
63 0.59029029029029 26404819.2831196 536795859.43136
64 0.598198198198198 22507535.6292916 451518244.425323
65 0.606106106106106 19225755.0074595 380652004.886255
66 0.614014014014014 16456063.3840636 321619243.620636
67 0.621921921921922 14113439.7953624 272328073.797393
68 0.62982982982983 12127808.2183114 231076411.621049
69 0.637737737737738 10441268.2220235 196475699.091185
70 0.645645645645646 9005864.55486712 167390248.947089
71 0.653553553553553 7781785.88661432 142888872.913156
72 0.661461461461461 6735906.26277489 122206197.082031
73 0.669369369369369 5840601.0019667 104711639.446617
74 0.677277277277277 5072782.96340691 89884465.2716967
75 0.685185185185185 4413116.23440387 77293677.0748718
76 0.693093093093093 3845373.02819302 66581760.7942961
77 0.701001001001001 3355906.47062935 57451515.9347917
78 0.708908908908909 2933217.39793356 49655358.5437088
79 0.716816816816817 2567597.60161624 42986612.0234529
80 0.724724724724725 2250835.38451199 37272399.8817552
81 0.732632632632633 1975972.02270065 32367832.5727075
82 0.740540540540541 1737099.90925907 28151242.2249795
83 0.748448448448448 1529194.90228239 24520267.8661017
84 0.756356356356356 1347976.80148611 21388632.5033996
85 0.764264264264264 1189793.00564778 18683484.264165
86 0.772172172172172 1051521.31282255 16343198.4048634
87 0.78008008008008 930488.560591786 14315556.6792815
88 0.787987987987988 824402.399329256 12556236.3322109
89 0.795895895895896 731293.975159665 11027553.661955
90 0.803803803803804 649469.692854439 9697417.30380487
91 0.811711711711712 577470.549826548 8538454.62629525
92 0.81961961961962 514037.794601967 7527281.2967902
93 0.827527527527528 458083.877831756 6643889.47526043
94 0.835435435435435 408667.840029413 5871134.48325398
95 0.843343343343343 364974.424982356 5194303.36670146
96 0.851251251251251 326296.327003618 4600751.68408856
97 0.859159159159159 292019.078552231 4079597.23183659
98 0.867067067067067 261608.166055409 3621461.36758372
99 0.874974974974975 234598.029091597 3218250.19067529
100 0.882882882882883 210582.653942625 2862969.15292916
101 0.890790790790791 189207.518932258 2549565.75436486
102 0.898698698698699 170162.687598702 2272795.87068303
103 0.906606606606607 153176.877957648 2028109.99635351
104 0.914514514514514 138012.363011622 1811556.2972074
105 0.922422422422422 124460.580162332 1619697.87217732
106 0.93033033033033 112338.346034303 1449542.04381796
107 0.938238238238238 101484.589036762 1298479.84657727
108 0.946146146146146 91757.5252847829 1164234.17282827
109 0.954054054054054 83032.2146897129 1044815.27952338
110 0.961961961961962 75198.4434602021 938482.561290912
111 0.96986986986987 68158.8872163353 843711.665667677
112 0.977777777777778 61827.5156491762 759166.168558971
113 0.985685685685686 56128.2053549206 683673.147557731
114 0.993593593593594 50993.5323020092 616202.091252146
115 1.0015015015015 46363.7194886738 555846.667259746
116 1.00940940940941 42185.7188325123 501808.943057678
117 1.01731731731732 38412.4092989407 453385.713899898
118 1.02522522522523 35001.8958023091 409956.643021979
119 1.03313313313313 31916.8955695987 370973.962430144
120 1.04104104104104 29124.2004986697 335953.519100344
121 1.04894894894895 26594.2056186858 304466.982416355
122 1.05685685685686 24300.4951097625 276135.055022355
123 1.06476476476476 22219.4784959359 250621.551682836
124 1.07267267267267 20330.0706188138 227628.229840476
125 1.08058058058058 18613.4098529294 206890.271852095
126 1.08848848848849 17052.6097583215 188172.332793611
127 1.0963963963964 15632.5399985568 171265.079618406
128 1.1043043043043 14339.6328980108 155982.157634021
129 1.11221221221221 13161.7124832253 142157.528986341
130 1.12012012012012 12087.8432602088 129643.135325162
131 1.12802802802803 11108.1963316888 118306.843253405
132 1.13593593593594 10213.9307632953 108030.636689585
133 1.14384384384384 9397.08837203038 98709.0250306266
134 1.15175175175175 8650.50033981196 90247.64010157
135 1.15965965965966 7967.70425417289 82561.9984146934
136 1.16756756756757 7342.87035148769 75576.4083137566
137 1.17547547547548 6770.7358889271 69223.0042180708
138 1.18338338338338 6246.54670273914 63440.8924643603
139 1.19129129129129 5766.00512503849 58175.3952218511
140 1.1991991991992 5325.22353129899 53377.3806703241
141 1.20710710710711 4920.68287811683 49002.6691184397
142 1.21501501501502 4549.19566721557 45011.5060317361
143 1.22292292292292 4207.87283853223 41368.0940630318
144 1.23083083083083 3894.09415379875 38040.1771554829
145 1.23873873873874 3605.48168339014 34998.6706399727
146 1.24664664664665 3339.87605427509 32217.3319907689
147 1.25455455455455 3095.31515648315 29672.4675510434
148 1.26246246246246 2870.01504029177 27342.6711054843
149 1.27037037037037 2662.35276693986 25208.5906716289
150 1.27827827827828 2470.85100261947 23252.7203140791
151 1.28618618618619 2294.16416923917 21459.2141644691
152 1.29409409409409 2131.06598638912 19813.7201619244
153 1.302002002002 1980.43825741553 18303.2313198162
154 1.30990990990991 1841.26076883097 16915.9525800856
155 1.31781781781782 1712.60218671273 15641.1815408515
156 1.32572572572573 1593.61184650011 14469.2015403092
157 1.33363363363363 1483.51234389727 13391.1857535372
158 1.34154154154154 1381.5928445945 12399.1111116831
159 1.34944944944945 1287.20303939104 11485.6809877014
160 1.35735735735736 1199.74767917325 10644.2557116053
161 1.36526526526527 1118.6816311881 9868.79008302924
162 1.37317317317317 1043.50540425965 9153.77714148636
163 1.38108108108108 973.761096114956 8494.19753654011
164 1.38898898898899 909.028720894963 7885.47391248461
165 1.3968968968969 848.92287929745 7323.4297861936
166 1.4048048048048 793.089737692459 6804.25245353759
167 1.41271271271271 741.204286022072 6324.45951006195
168 1.42062062062062 692.967847392722 5880.8686162259
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