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---
lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:59 2021
epsilon: 2e-14
prerequisites: ! |
atom full
fix temp/berendsen
pre_commands: ! ""
post_commands: ! |
fix all solute nve
fix test solute temp/berendsen 50.0 ${t_target} 1.0
input_file: in.fourmol
natoms: 29
global_scalar: 140.500399901528
run_pos: ! |2
1 -2.7309636642471763e-01 2.4861645745691683e+00 -1.6828848361402490e-01
2 3.0754156828804369e-01 2.9580811430810168e+00 -8.5566344544442696e-01
3 -7.0122770940380430e-01 1.2339445479551032e+00 -6.2630377656128777e-01
4 -1.5804472514360892e+00 1.4859973441832681e+00 -1.2520124052982806e+00
5 -9.0374947361394331e-01 9.2892484821615950e-01 4.0028294365544248e-01
6 2.6054522561991372e-01 2.6809488486741462e-01 -1.2454390553490415e+00
7 3.4113678304929385e-01 -1.8979558589829474e-02 -2.5116522993743571e+00
8 1.1716199786283663e+00 -4.8725335288759802e-01 -6.4822281049325703e-01
9 1.3792620285766666e+00 -2.5270770981342516e-01 2.7933353973879949e-01
10 2.0422906283128670e+00 -1.4518843639641870e+00 -9.7890931987345720e-01
11 1.7892476580970549e+00 -1.9906322518767001e+00 -1.8873753918956127e+00
12 3.0052861385021128e+00 -4.8980879715968567e-01 -1.6218666251486527e+00
13 4.0492389166811398e+00 -8.9494016256557662e-01 -1.6394908431361932e+00
14 2.6057881176374380e+00 -4.1473486027171080e-01 -2.6608124094383205e+00
15 2.9716736613290236e+00 5.5705022673260141e-01 -1.2371490367526674e+00
16 2.6686127048309953e+00 -2.4079062466699259e+00 -8.6769783148858658e-03
17 2.2194270729627537e+00 -2.0931602868129722e+00 1.1836986021579625e+00
18 2.1384791188033843e+00 3.0177261773770208e+00 -3.5160827596876225e+00
19 1.5349125211132961e+00 2.6315969880333707e+00 -4.2472859440220647e+00
20 2.7641167828863153e+00 3.6833419064000221e+00 -3.9380850623312638e+00
21 4.9064454390208301e+00 -4.0751205255383196e+00 -3.6215576073601046e+00
22 4.3687453488627543e+00 -4.2054270536772504e+00 -4.4651491269372565e+00
23 5.7374928154769504e+00 -3.5763355905184966e+00 -3.8820297194230728e+00
24 2.0684115301174013e+00 3.1518221747664397e+00 3.1554242678474576e+00
25 1.2998381073113014e+00 3.2755513587518097e+00 2.5092990173114837e+00
26 2.5807438597688113e+00 4.0120175892854135e+00 3.2133398379059099e+00
27 -1.9613581876744359e+00 -4.3556300596085160e+00 2.1101467673534788e+00
28 -2.7406520384725965e+00 -4.0207251278130975e+00 1.5828689861678511e+00
29 -1.3108232656499081e+00 -3.5992986322410760e+00 2.2680459788743503e+00
run_vel: ! |2
1 4.4822485045367504e-03 9.2630275931323714e-03 2.7690954442220936e-03
2 2.5115450429997297e-03 1.9432770966180499e-03 -1.6028636434240902e-03
3 -4.3937474121539854e-03 -7.7137150893059059e-03 -2.2604818247973606e-03
4 -1.9476891076786384e-03 -3.4752865444196575e-03 2.5858331694165467e-04
5 -6.0140772566964372e-03 -5.8056118324908155e-03 -1.6285179811875374e-03
6 -2.2469338308920575e-02 2.6184066673584038e-02 2.0084128049821442e-02
7 5.5310241062432727e-04 -5.4895662329791485e-03 -2.8451095082690465e-02
8 4.3820080553155973e-03 -1.7125373775392955e-03 1.9574889525765377e-02
9 6.1123931362892586e-04 2.7099585868545638e-03 8.3091915039055237e-03
10 1.6488027562775176e-02 -1.6715055435345464e-02 -8.4916986007994542e-03
11 -2.6493638654309275e-03 -1.8108088716662662e-03 -7.1397665423713101e-04
12 1.0553014594281446e-03 -4.9095325173559483e-05 -1.4582671613828872e-03
13 6.8186312546743191e-04 2.5433794096564773e-03 -2.8303405188633229e-04
14 2.0318309992730424e-03 -2.4195214229911048e-03 -1.4031089865427190e-03
15 -1.0420290545722850e-04 -2.6462739410254661e-03 2.8946287413495492e-03
16 1.0435719112539276e-02 -7.2849035729913086e-03 -2.5728092378723793e-02
17 -7.3214526097835405e-03 5.3566310662169067e-03 2.0611725900352998e-02
18 -6.0936815808025862e-04 -9.3774557532468582e-04 -3.3558072507805731e-04
19 -6.9919768291957119e-04 -3.6060777270430031e-03 4.2833405289822791e-03
20 4.7777805013736515e-03 5.1003745845520452e-03 1.8002873923729241e-03
21 -9.5568188553430398e-04 1.6594630943762931e-04 -1.8199788009966615e-04
22 -3.3137518957653462e-03 -2.8683968287936054e-03 3.6384389958326871e-03
23 2.4209481134686401e-04 -4.5457709985051130e-03 2.7663581642115042e-03
24 2.5447450568861086e-04 4.8412447786110117e-04 -4.8021914527341357e-04
25 4.3722771097312743e-03 -4.5184411669545515e-03 2.5200952006556795e-03
26 -1.9250110555001179e-03 -3.0342169883610837e-03 3.5062814567984532e-03
27 -2.6510179146429716e-04 3.6306203629019116e-04 -5.6235585400647747e-04
28 -2.3068708109787484e-04 -8.5663070212203200e-04 2.1302563179109169e-03
29 -2.5054744388303732e-03 -1.6773997805290820e-04 2.8436699761004796e-03
...
|
