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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 ring
pre_commands: ! ""
post_commands: ! ""
input_file: in.fourmol
improper_style: ring
improper_coeff: ! |
1 75.0 120.2
2 45.0 59.5
extract: ! ""
natoms: 29
init_energy: 31535.2377170405
init_stress: ! |-
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init_forces: ! |2
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6 1.5514430270979008e+04 -1.1833964695203202e+04 7.5404548607963734e+03
7 -2.0346715672832374e+01 1.5237083750885695e+01 -2.1806116546599725e+01
8 -9.9214622223763376e+02 -3.0515877728365367e+03 -2.1156754748395269e+03
9 -1.2756197963298097e+04 2.0686953537230125e+04 1.5305219667798992e+04
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run_energy: 22428.4452488262
run_stress: ! |-
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run_forces: ! |2
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8 -6.0494693524996796e+02 -4.0721523508558912e+03 -3.9360086774616957e+03
9 -1.3496690912247876e+04 1.9654078370364114e+04 1.0900768028085979e+04
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...
|
