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---
lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:10:00 2021
epsilon: 4e-14
prerequisites: ! |
atom full
fix wall/morse
pre_commands: ! |
boundary p f p
post_commands: ! |
fix move all nve
fix test solute wall/morse ylo EDGE 6000.0 0.3 1.1 5.0 yhi EDGE 6000.0 0.3 1.1 5.0
fix_modify test virial yes
input_file: in.fourmol
natoms: 29
run_stress: ! |2-
0.0000000000000000e+00 -1.6447328969000660e+03 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
global_scalar: -715.415406257395
global_vector: ! |-
2 0 -362.76807567062644
run_pos: ! |2
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2 3.0963184116147618e-01 3.0014595399936281e+00 -8.5430140686816214e-01
3 -7.0384894984747925e-01 1.2309015375308219e+00 -6.2768436035697617e-01
4 -1.5818176791640250e+00 1.4837231080448017e+00 -1.2538740983093204e+00
5 -9.0718849446796412e-01 9.2653164987898939e-01 3.9954632131545287e-01
6 2.4831839235845354e-01 2.8313265654301789e-01 -1.2314236357880461e+00
7 3.4143526822589915e-01 -2.2646538152574006e-02 -2.5292291434660381e+00
8 1.1743552107695057e+00 -4.8863225989226533e-01 -6.3783434531274807e-01
9 1.3800524241606595e+00 -2.5274721157120961e-01 2.8353985893838241e-01
10 2.0510765222277745e+00 -1.4604063739388657e+00 -9.8323745091734549e-01
11 1.7878031944633563e+00 -1.9921863273237430e+00 -1.8890602447741953e+00
12 3.0063007043413612e+00 -4.9013350523119031e-01 -1.6231898109107055e+00
13 4.0515402959324174e+00 -8.9202011607291531e-01 -1.6400005529969197e+00
14 2.6066963345867493e+00 -4.1789253967796969e-01 -2.6634003609064330e+00
15 2.9695287187403183e+00 5.5422613159536682e-01 -1.2342022022307726e+00
16 2.6747029696074671e+00 -2.4124119055741526e+00 -2.3435746141560052e-02
17 2.2153577786599099e+00 -2.0897985188852957e+00 1.1963150795174466e+00
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19 1.5355837136078994e+00 2.6255292355588757e+00 -4.2353987779851296e+00
20 2.7727573003071933e+00 3.6923910440783931e+00 -3.9330842459453148e+00
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24 2.0689243581498653e+00 3.1513346909599651e+00 3.1550389753492256e+00
25 1.3045351329547377e+00 3.2665125707112610e+00 2.5111855254067215e+00
26 2.5809237402542604e+00 4.0117602605530056e+00 3.2212060528871826e+00
27 -1.9611343130419832e+00 -4.3563411931577498e+00 2.1098293115609912e+00
28 -2.7473562684536628e+00 -4.0200819932434282e+00 1.5830052163452875e+00
29 -1.3126000191369560e+00 -3.5962518039526832e+00 2.2746342468757565e+00
run_vel: ! |2
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3 -7.9721954985889285e-03 -1.2268783977531039e-02 -3.9361845956729456e-03
4 -3.7725559552080649e-03 -6.6074130975376302e-03 -1.1239964478779233e-03
5 -1.1002605235858460e-02 -9.8680015994752658e-03 -2.8327888280266921e-03
6 -3.9674547907414821e-02 4.6822592792817211e-02 3.7148318739351066e-02
7 9.1031746047128470e-04 -1.0128481892033168e-02 -5.1568253048218646e-02
8 7.9064457287878788e-03 -3.3506582863990051e-03 3.4557045247921400e-02
9 1.5644208034781776e-03 3.7365512668284797e-03 1.5047408581112285e-02
10 2.9201446942760535e-02 -2.9249577856792601e-02 -1.5018077696249433e-02
11 -4.7835960986765723e-03 -3.7481385797508478e-03 -2.3464104367979396e-03
12 2.2696460154049553e-03 -3.4774207770824208e-04 -3.0640773817331556e-03
13 2.7531740760828446e-03 5.8171061464595882e-03 -7.9467455065098259e-04
14 3.5246183046552968e-03 -5.7939996060506959e-03 -3.9478431727489110e-03
15 -1.8547940192371317e-03 -5.8554731130000910e-03 6.2938484079631141e-03
16 1.8681500141579217e-02 -1.3262466439236465e-02 -4.5638651434422119e-02
17 -1.2896269711984213e-02 9.7527661294105148e-03 3.7296535503389051e-02
18 -8.0065813058176056e-04 -8.6270429918499129e-04 -1.4483038312432203e-03
19 1.2452390823893700e-03 -2.5061096678311691e-03 7.2998631081901098e-03
20 3.5930057672106026e-03 3.6938851692874396e-03 3.2322732421069286e-03
21 -1.4689219756942105e-03 -2.7352107824552653e-04 7.0581625180796668e-04
22 -7.0694199165143717e-03 -4.2577148692717727e-03 2.8079117911313433e-04
23 6.0446963236686115e-03 -1.4000131545098178e-03 2.5819754799379238e-03
24 3.1926349353318011e-04 -9.9445617038915603e-04 1.4999970019575939e-04
25 1.3789715718110244e-04 -4.4335892217948203e-03 -8.1808204442384007e-04
26 2.0485903705729116e-03 2.7813358762743688e-03 4.3245726703719164e-03
27 4.5604119012943262e-04 -1.0305523473710147e-03 2.1188060159221318e-04
28 -6.2544520902254284e-03 1.4127711077263176e-03 -1.8429821850450522e-03
29 6.4110631319826985e-04 3.1273432626741679e-03 3.7253671146110535e-03
...
|
