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---
lammps_version: 22 Dec 2022
date_generated: Sun Jan 1 12:06:17 2023
epsilon: 5e-13
skip_tests:
prerequisites: ! |
atom full
fix deform
pre_commands: ! ""
post_commands: ! |
change_box all triclinic
fix all solute nve
fix test solute deform 1 xy final 2.0
input_file: in.fourmol
natoms: 29
run_pos: ! |2
1 1.0855368682068018e+00 2.4892078513864018e+00 -1.6807866292105267e-01
2 1.7284960732585422e+00 2.9597056244404456e+00 -8.5346353425054122e-01
3 4.8746568364520826e-01 1.2336833631667599e+00 -6.2642944072489115e-01
4 -3.5822782793953856e-01 1.4847616828476138e+00 -1.2540757780447933e+00
5 2.4294798469851475e-01 9.2692198077970822e-01 3.9934566745512079e-01
6 1.3025556042136017e+00 2.8859354339448284e-01 -1.2361650908297239e+00
7 1.3648904541183047e+00 -2.2716420200693754e-02 -2.5295560770208336e+00
8 2.1354415823894710e+00 -4.8692787050501796e-01 -6.3135974062156741e-01
9 2.3719216077837642e+00 -2.5274835048472788e-01 2.8318253889625211e-01
10 2.8904834662818120e+00 -1.4675020651840374e+00 -9.8647130619098711e-01
11 2.5485271209105163e+00 -1.9918005802908807e+00 -1.8887268902774004e+00
12 3.9661921464724736e+00 -4.9047374513997610e-01 -1.6227423202955951e+00
13 4.9587129175146236e+00 -8.9348661030304299e-01 -1.6401990895541623e+00
14 3.5772277646918544e+00 -4.1741525422918357e-01 -2.6634350302145497e+00
15 4.0684318619130364e+00 5.5429805356365591e-01 -1.2344906917788459e+00
16 3.3807187267261591e+00 -2.4135020179186251e+00 -2.4935349972384557e-02
17 2.9612173336108496e+00 -2.0893547104123549e+00 1.1976577073735122e+00
18 2.1384791188033825e+00 3.0177261773770194e+00 -3.5160827596876221e+00
19 1.5349125211132959e+00 2.6315969880333707e+00 -4.2472859440220656e+00
20 2.7641167828863145e+00 3.6833419064000221e+00 -3.9380850623312638e+00
21 4.9064454390208310e+00 -4.0751205255383196e+00 -3.6215576073601046e+00
22 4.3687453488627481e+00 -4.2054270536772504e+00 -4.4651491269372565e+00
23 5.7374928154769540e+00 -3.5763355905184966e+00 -3.8820297194230733e+00
24 2.0684115301173955e+00 3.1518221747664388e+00 3.1554242678474580e+00
25 1.2998381073113032e+00 3.2755513587518106e+00 2.5092990173114842e+00
26 2.5807438597688117e+00 4.0120175892854135e+00 3.2133398379059095e+00
27 -1.9613581876744357e+00 -4.3556300596085160e+00 2.1101467673534788e+00
28 -2.7406520384725961e+00 -4.0207251278130975e+00 1.5828689861678509e+00
29 -1.3108232656499101e+00 -3.5992986322410765e+00 2.2680459788743512e+00
run_vel: ! |2
1 7.5323890416874985e-03 1.3407317314745711e-02 3.0113882626870629e-03
2 2.9555738575384651e-03 2.5905831361034103e-03 5.7148776167878772e-04
3 -7.5865786003347715e-03 -7.8325295736008209e-03 -1.8760972175995024e-03
4 -4.7330045720770384e-03 -4.8059025612351477e-03 -1.4637839909702518e-03
5 -1.0808587252899132e-02 -9.1907103353762506e-03 -3.1733158450951687e-03
6 -4.7364353081457367e-02 5.4959003133353571e-02 3.0003162861727474e-02
7 6.3678522146685794e-04 -1.0260138471344160e-02 -5.2151062176725028e-02
8 7.8749812427712628e-03 -4.5223182662682628e-04 4.4514106525954347e-02
9 1.7137665841696734e-03 3.7800881250628117e-03 1.4638719197565580e-02
10 3.8725311919954666e-02 -4.0235110279574042e-02 -2.0338267944706539e-02
11 -4.3075890766096758e-03 -3.1009516927184783e-03 -1.7920683870146505e-03
12 1.4154765081876419e-03 -9.2140564020474222e-04 -2.3123286457819216e-03
13 4.5280214842109510e-03 3.2986327816497611e-03 -1.1403870204354570e-03
14 3.3578577709277167e-03 -4.9793399807287683e-03 -4.0073479749501515e-03
15 -4.0919209103083866e-03 -5.7497585946301080e-03 5.8048232403886367e-03
16 1.9859422038622211e-02 -1.5014605554109300e-02 -4.7497331281512713e-02
17 -1.3327405304179271e-02 1.0382850727893996e-02 3.9094199371326389e-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
...
|
