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DL_POLY: Potassium Chloride Test Case
2 3 216 3 2606
timestep 1 216 2 3 0.005000 0.005000
18.6796195135 0.0000058913 -0.0000139999
0.0000058913 18.6794658887 -0.0000016255
-0.0000139999 -0.0000016255 18.6797229304
K+ 1 39.098300 0.994000 0.025528
-7.595541651 -7.898808509 -7.861763110
1.109901682 -1.500264697 4.752251711
-2621.386432 1579.334443 1041.103241
K+ 2 39.098300 0.994000 0.008010
-4.679056997 -4.499669764 -7.812461299
-0.8554302522 0.7691913403 -1.115022798
1011.950320 -7374.739828 1386.138986
K+ 3 39.098300 0.994000 0.021489
-7.796155105 -4.631182485 -4.739367942
3.719009078 -0.7561792629E-02 -2.154223038
558.7749493 -630.1416046 1768.434204
K+ 4 39.098300 0.994000 0.040964
-4.540513292 -7.776320496 -4.535391525
6.447144862 5.055185016 0.5035058346E-01
-3113.471886 818.6647146 -2133.977826
Cl- 5 35.453000 -0.994000 0.026763
-7.792642854 -4.844563216 -7.784591512
2.244932989 -0.5367103405 4.829285783
-212.7647930 2593.032688 697.7495118
Cl- 6 35.453000 -0.994000 0.017591
-4.659581188 -7.804334007 -7.913337562
2.976758321 -1.452433831 -1.185964095
1467.697243 2205.881292 720.9069323
Cl- 7 35.453000 -0.994000 0.021097
-7.866117149 -7.890980209 -4.449437083
3.761408872 1.351759469 -1.351942323
6721.430008 1050.302891 -4318.070184
Cl- 8 35.453000 -0.994000 0.045392
-4.638343568 -4.731540533 -4.647576358
0.8134015151 6.854676887 -5.896592053
566.7295953 2087.820398 -1487.357352
K+ 9 39.098300 0.994000 0.018616
-1.526393944 -7.640943210 -7.781511097
3.414835384 0.6063450830 -1.353937087
-1408.773100 -3171.290833 693.2738882
K+ 10 39.098300 0.994000 0.013552
1.717217173 -4.554566242 -7.922247035
-2.699611741 0.2388349800 0.2895621965E-01
-3007.144350 -784.9519245 3216.909515
K+ 11 39.098300 0.994000 0.022156
-1.329465597 -4.731281311 -4.425828376
1.077366983 3.334317063 2.712514226
-4454.887580 2152.283913 -2373.178742
K+ 12 39.098300 0.994000 0.007439
1.599395154 -7.791109690 -4.801223548
0.8870083631 1.070321336 -0.5305275612
-1892.925155 -56.11656773 1267.427083
Cl- 13 35.453000 -0.994000 0.015723
-1.447083371 -4.665373958 -7.875152379
1.204427810 -0.7051551396 -2.817918721
-1854.606817 1113.803899 2079.990646
Cl- 14 35.453000 -0.994000 0.010157
1.506748253 -7.788123877 -7.796775726
-0.1932176354 -0.6418411055 1.917644991
2347.137556 680.2091200 535.7060918
Cl- 15 35.453000 -0.994000 0.017529
-1.597414026 -7.742344921 -4.388469350
1.863921963 -0.4773239491 2.930605806
3388.871639 -681.5468111 -4367.445879
Cl- 16 35.453000 -0.994000 0.022205
1.555130908 -4.729346191 -4.606942346
0.4173576794 0.2335691687 -4.415141960
3893.515825 787.0168337 -1876.530738
K+ 17 39.098300 0.994000 0.038928
4.779042549 -7.791778973 -7.762486370
1.736542266 -3.699154321 6.627037441
-1594.546768 -961.5179238 -3093.956596
K+ 18 39.098300 0.994000 0.021436
7.725646741 -4.733999182 -7.834717976
-1.791542547 -2.889516623 2.611619413
1734.234793 1161.035644 1450.299288
K+ 19 39.098300 0.994000 0.025509
4.698599359 -4.827994777 -4.603399382
-3.970168526 1.107909387 3.006468183
300.2537080 2928.513624 -2493.856185
K+ 20 39.098300 0.994000 0.019410
8.035643192 -7.909896731 -4.620254740
-1.401766531 1.111442840 3.445200277
-6120.507705 872.3124127 262.2578549
Cl- 21 35.453000 -0.994000 0.030542
4.698822702 -4.682095233 -7.778391324
-5.419182663 -2.248267957 -1.700200144
1602.515501 -727.5639252 -478.5015623
Cl- 22 35.453000 -0.994000 0.016619
7.941798142 -7.792499489 -7.639495153
-0.2922524402 2.770046507 -1.813674171
-1541.737060 -172.6703420 -2252.131120
Cl- 23 35.453000 -0.994000 0.014461
4.668961262 -7.879260641 -4.858423115
-1.659025236 -2.336945269 0.3888942689
1894.590240 1768.991281 3949.337828
Cl- 24 35.453000 -0.994000 0.011606
7.844588006 -4.415314844 -4.663603732
1.699799610 1.502823631 -0.4900907017
-1870.030762 -5120.127855 -659.8006970
K+ 25 39.098300 0.994000 0.025880
-7.723238441 -1.533156086 -7.906787947
1.288871984 0.6947257832 -4.964577708
-2248.360344 -760.3516025 4044.782371
K+ 26 39.098300 0.994000 0.027402
-4.515044035 1.552996051 -7.832383858
5.145403407 -0.3000508802E-01 1.886739807
-3726.408348 935.0028555 2198.456854
K+ 27 39.098300 0.994000 0.010542
-7.772177815 1.525856125 -4.660009618
-0.9537200201 -0.9894403139E-02 1.880226337
699.2031296 4566.420199 -1153.585027
K+ 28 39.098300 0.994000 0.034721
-4.806858437 -1.546572924 -4.372675170
2.651562298 6.005825344 -2.262924072
4890.053527 582.5591997 -7779.107026
Cl- 29 35.453000 -0.994000 0.017585
-7.642670939 1.526526954 -7.889712477
-3.172838361 -1.503670675 0.2045521408
-1740.103688 -463.8635591 3889.491171
Cl- 30 35.453000 -0.994000 0.013301
-4.739295658 -1.667690525 -7.742923020
2.655798414 0.4968896861E-01 0.1433568976
-1293.208658 4668.493215 -243.2615962
Cl- 31 35.453000 -0.994000 0.008999
-7.652262523 -1.361130324 -4.668214242
1.610730698 -0.5379681715 -0.5964363309
-4585.988574 -3912.674009 -1079.087197
Cl- 32 35.453000 -0.994000 0.027766
-4.393004748 1.661277299 -4.570265142
-1.928349872 3.717681609 3.646693499
-7065.191191 -1639.433284 -3223.404615
K+ 33 39.098300 0.994000 0.012346
-1.825261386 -1.641097487 -7.615555690
0.3911506986 0.3935658523 -2.405961263
5863.406192 1197.508278 -2160.111258
K+ 34 39.098300 0.994000 0.022071
1.386232540 1.523898971 -7.958431339
-4.365443211 0.6384083850 -0.1452409741
2382.743465 27.20892837 877.6610247
K+ 35 39.098300 0.994000 0.016897
-1.568892214 1.612756847 -4.549327027
2.446688020 -1.288194369 -1.942714054
3324.465290 -885.5435957 -1640.189648
K+ 36 39.098300 0.994000 0.016705
1.669566563 -1.391613016 -4.682261422
1.039407301 1.983609251 2.479277218
-3204.629994 -1547.828775 -988.2395557
Cl- 37 35.453000 -0.994000 0.019152
-1.644239139 1.547438392 -8.073761659
1.052965908 2.369500172 -2.819471493
2290.554893 -1339.069781 5811.203442
Cl- 38 35.453000 -0.994000 0.017084
1.504696380 -1.514001319 -7.753411527
1.497230288 0.6852411891 -2.993934092
50.00479716 -251.4474851 -1387.372436
Cl- 39 35.453000 -0.994000 0.031136
-1.543052833 -1.497088370 -4.655548806
3.360386018 -5.223645305 0.4471675992
-771.7865449 -1615.806278 1928.159770
Cl- 40 35.453000 -0.994000 0.026629
1.434773576 1.686828141 -4.726614349
-2.509453731 -4.627467451 0.8086483382
3282.289976 -949.1792509 1043.435724
K+ 41 39.098300 0.994000 0.016916
4.811086468 -1.580168888 -7.804324956
0.5369625587 -1.636841048 2.911720831
-6101.351799 907.4959509 -1755.531452
K+ 42 39.098300 0.994000 0.011159
7.580327986 1.418376496 -7.774798676
-0.3487551231 -0.2858212397 2.185828525
2719.891040 4088.308780 -715.4941650
K+ 43 39.098300 0.994000 0.013127
4.642343756 1.560961450 -4.462816007
1.698823466 1.395137761 1.435468589
-911.7797904 -225.9723787 -4617.678196
K+ 44 39.098300 0.994000 0.010793
7.761250593 -1.508996133 -4.586271066
-0.3706302960 0.2787721312 -2.108127237
783.1648273 2369.285874 -1817.195786
Cl- 45 35.453000 -0.994000 0.017004
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