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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/csld
pre_commands: ! ""
post_commands: ! |
fix all solute nve
fix test solute temp/csld 50.0 ${t_target} 1.0 62823
input_file: in.fourmol
natoms: 29
global_scalar: 150.876840894722
run_pos: ! |2
1 -2.7647311866382945e-01 2.4857065646723955e+00 -1.6617735618091201e-01
2 3.0499516303476115e-01 2.9537709384435074e+00 -8.5187606183120801e-01
3 -7.0089965540770716e-01 1.2370509246791983e+00 -6.2647646451254169e-01
4 -1.5876070862522318e+00 1.4894674416472973e+00 -1.2438382416135443e+00
5 -8.9863030307286906e-01 9.2993444238449641e-01 4.0139614242262101e-01
6 2.6366550703190161e-01 2.5947127019674543e-01 -1.2512838337828405e+00
7 3.4221776711736090e-01 -1.4779100592719932e-02 -2.4988762781276868e+00
8 1.1688893653924293e+00 -4.8751615364078732e-01 -6.5234814135314723e-01
9 1.3854061606109378e+00 -2.5750875741300600e-01 2.7829296074436094e-01
10 2.0360908951129288e+00 -1.4445619988253025e+00 -9.7534522309748062e-01
11 1.7825785169979784e+00 -1.9874255508702292e+00 -1.8881581493841835e+00
12 3.0057154639626575e+00 -4.9097688194559375e-01 -1.6180318028907086e+00
13 4.0485629820926592e+00 -8.9431038872519708e-01 -1.6345003838044976e+00
14 2.6060153448114884e+00 -4.1286533645721485e-01 -2.6584607156586810e+00
15 2.9703775066451663e+00 5.6063984758286523e-01 -1.2411803092256180e+00
16 2.6656970686950041e+00 -2.4008304027486727e+00 2.4324587822466010e-04
17 2.2170696923898499e+00 -2.0966249045214056e+00 1.1748374924569560e+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 -6.1518106640055098e-04 9.8413236728091859e-03 2.6821401423517848e-03
2 5.7584895033439311e-03 -6.4512016069715183e-03 -4.6331491821159322e-03
3 -4.3045744902141230e-03 -1.1357763612046034e-03 -1.5278167433944827e-03
4 -7.9024210036195315e-04 8.4724079430485693e-03 8.7245281838652239e-03
5 2.7579652970089745e-03 -5.9025323603549475e-04 -2.5454023443268127e-03
6 -1.4815311727055615e-02 2.0221004909579707e-02 1.5396636244631938e-02
7 6.3241608228865333e-04 -1.0634159681637320e-03 -1.6769555657594071e-02
8 1.5893486075269094e-03 -6.1660323394415405e-04 1.3789272460195160e-02
9 7.4801357958314968e-03 -1.7324571377721242e-04 5.5874995558103397e-03
10 1.3183178250648638e-02 -7.4440255996034814e-03 -1.4024578089719738e-03
11 -3.6967525507180790e-03 -7.9577777641821126e-03 -2.0130547563199353e-03
12 1.7809421251718035e-03 -2.4228240354331847e-04 -2.9652050547483645e-03
13 4.3878889923020296e-04 3.8672876750012147e-03 -6.6580707926174529e-03
14 -5.2616323633526024e-04 -4.5860320088099964e-03 5.2733721735657773e-04
15 -2.1083712534527002e-03 2.9658835298400901e-03 9.1125829125389391e-04
16 6.3044701073886288e-03 -1.5176887611785819e-03 -1.7062686137992850e-02
17 -8.3474333369752789e-03 1.5146606349005583e-03 1.4823067912505096e-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
...
|
