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---
lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:37 2021
epsilon: 2.5e-13
prerequisites: ! |
atom full
improper sqdistharm
pre_commands: ! ""
post_commands: ! ""
input_file: in.fourmol
improper_style: sqdistharm
improper_coeff: ! |
1 75.0 5.5
2 45.0 6.2
extract: ! ""
natoms: 29
init_energy: 3997.62616072489
init_stress: ! |2-
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init_forces: ! |2
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6 1.4526688812516666e+01 1.4396696002909508e+01 -5.0654832290218712e+00
7 -1.1326251862776240e+00 -1.2244721145151010e+00 1.9702496117457491e-01
8 -3.2369402362851083e+01 -3.1369091715714088e+01 1.2666477036621034e+01
9 9.9680613577558290e+00 9.6211223009973672e+00 -3.9760926562137620e+00
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run_energy: 3997.61003372028
run_stress: ! |2-
8.9867618231995117e-01 8.3953557023913883e-01 1.4147031268478960e-01 8.6854554531065609e-01 -3.5603505602114510e-01 -3.4388329133386453e-01
run_forces: ! |2
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6 1.5089575984014470e+01 1.4996327001938443e+01 -5.1759841256486734e+00
7 -1.2983204496665137e+00 -1.4031749793422010e+00 2.2593118211867663e-01
8 -3.2767054343771939e+01 -3.1777449992301968e+01 1.2769678270571790e+01
9 1.0039076049105660e+01 9.6916924205303019e+00 -3.9982380731119491e+00
10 1.0105870141420118e+01 9.7561752270210462e+00 -4.0248399916196274e+00
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...
|
