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---
lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:57 2021
epsilon: 2e-11
prerequisites: ! |
atom full
fix setforce
pre_commands: ! ""
post_commands: ! |
fix move all nve
fix test solute setforce 0.0 NULL 0.1
input_file: in.fourmol
natoms: 29
global_vector: ! |-
3 0.031196595768662405 0.027176378299685666 -0.018248127488959653
run_pos: ! |2
1 -2.7837948059450057e-01 2.4915057595127261e+00 -1.7244621851040967e-01
2 3.0739674554684748e-01 2.9612812082059410e+00 -8.4971536723424157e-01
3 -6.9690113701142686e-01 1.2299989573015675e+00 -6.2300341128596803e-01
4 -1.5790179883709534e+00 1.4836808443213463e+00 -1.2569328009386738e+00
5 -8.9737778320591355e-01 9.2644076771112371e-01 4.0243624362683811e-01
6 2.9350779927946186e-01 2.9015340694208497e-01 -1.2827109535977994e+00
7 3.3997795272945847e-01 -2.6300572624749590e-02 -2.4648504448435284e+00
8 1.1648999228107455e+00 -4.8865966236488045e-01 -6.7628957056698502e-01
9 1.3802410900047160e+00 -2.5301023044453536e-01 2.7102084644075047e-01
10 2.0194285352292209e+00 -1.4622480415421317e+00 -9.6779503027756864e-01
11 1.7922384975531884e+00 -1.9922212161152444e+00 -1.8898770637388704e+00
12 3.0051949545921595e+00 -4.9025758702939209e-01 -1.6214531165572654e+00
13 4.0528782906288381e+00 -8.9202906696376694e-01 -1.6399903380297762e+00
14 2.6030385373167326e+00 -4.1792037250958114e-01 -2.6632871675610303e+00
15 2.9669711835025847e+00 5.5426020373538232e-01 -1.2373366130951635e+00
16 2.6515619929959935e+00 -2.4164580153507993e+00 3.5904434895191586e-02
17 2.2323103228818271e+00 -2.0866200178232570e+00 1.1508699713803967e+00
18 2.1369701651509190e+00 3.0158507318424936e+00 -3.5179348274555937e+00
19 1.5355837133081183e+00 2.6255292347922397e+00 -4.2353987772399497e+00
20 2.7727573004039123e+00 3.6923910447382959e+00 -3.9330842457623234e+00
21 4.9040128090518982e+00 -4.0752348190254066e+00 -3.6210314733741300e+00
22 4.3582355554811203e+00 -4.2126119427992510e+00 -4.4612844197913537e+00
23 5.7439382850543934e+00 -3.5821957939727862e+00 -3.8766361297296963e+00
24 2.0689243587550665e+00 3.1513346917712659e+00 3.1550389764758857e+00
25 1.3045351337111810e+00 3.2665125710954817e+00 2.5111855269473398e+00
26 2.5809237403311265e+00 4.0117602606155351e+00 3.2212060529773248e+00
27 -1.9611343135760269e+00 -4.3563411936812422e+00 2.1098293111769051e+00
28 -2.7473562684448014e+00 -4.0200819932539504e+00 1.5830052163387485e+00
29 -1.3126000190074181e+00 -3.5962518039956493e+00 2.2746342468316909e+00
run_vel: ! |2
1 7.7867804888392077e-04 1.7047228530841809e-02 -2.1582089259505630e-04
2 2.7129529964126462e-03 5.2784482698423644e-03 3.6014335254494771e-03
3 -1.2736791029204805e-03 -1.3974541598892314e-02 -3.2921473803217605e-04
4 -9.2828595122009308e-04 -6.6991688238371011e-03 -4.0996189392783757e-03
5 -1.1800848061603740e-03 -1.0047153968619136e-02 8.9901734029750995e-05
6 -3.0914004879905335e-04 5.9226312312574469e-02 8.0271015448535863e-04
7 -1.1037894966874103e-04 -1.6457202942861592e-02 -7.6694610847002475e-04
8 3.9060281273221989e-04 -3.3092081140500625e-03 1.5732069521849873e-04
9 1.2475530960659720e-03 3.1932872333445845e-03 1.1326388467761117e-03
10 4.5008983776042893e-04 -3.2706161456987362e-02 -2.2639522262760407e-04
11 -3.6977669078869707e-04 -3.8208979405711181e-03 -2.8967604321188693e-03
12 1.0850834530183159e-03 -5.9865405325318095e-04 -1.2901481412786638e-03
13 4.0754559196230639e-03 5.8000556188644737e-03 -7.6236632081370817e-04
14 -1.3837220448746613e-04 -5.8513645592199954e-03 -3.9124675613296149e-03
15 -4.3301707382721859e-03 -5.7874916835632612e-03 3.2246704604008991e-03
16 -9.6715751018414326e-05 -2.0337180407622942e-02 1.5015330084982936e-03
17 6.5692180538157174e-04 1.5347761197837848e-02 8.4018434079252094e-04
18 -8.0066836980328829e-04 -8.6272352268198973e-04 -1.4482916287850436e-03
19 1.2452384523271498e-03 -2.5061112055692661e-03 7.2998645869741070e-03
20 3.5930056005389279e-03 3.6938854790338886e-03 3.2322736694535342e-03
21 -1.4689186150745120e-03 -2.7352475069894054e-04 7.0581153530664112e-04
22 -7.0694198605565570e-03 -4.2577150334417316e-03 2.8079083578864353e-04
23 6.0446965741464556e-03 -1.4000132401387128e-03 2.5819752034683392e-03
24 3.1926469085296537e-04 -9.9445460268275231e-04 1.5000192558511910e-04
25 1.3789867280959912e-04 -4.4335884662300897e-03 -8.1807894939305860e-04
26 2.0485905358907184e-03 2.7813360186345780e-03 4.3245728521738580e-03
27 4.5604013457189150e-04 -1.0305533784689190e-03 2.1187984562018490e-04
28 -6.2544520812349144e-03 1.4127710889363602e-03 -1.8429822031806322e-03
29 6.4110655335636812e-04 3.1273431604200374e-03 3.7253670254479500e-03
...
|
