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---
lammps_version: 10 Feb 2021
date_generated: Wed Feb 24 20:50:39 202
epsilon: 2e-12
prerequisites: ! |
atom full
improper harmonic
improper umbrella
pre_commands: ! ""
post_commands: ! ""
input_file: in.fourmol
improper_style: hybrid harmonic umbrella
improper_coeff: ! |
1 umbrella 75.0 120.2
2 harmonic 45.0 59.5
extract: ! ""
natoms: 29
init_energy: 154.104984286114
init_stress: ! |2-
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init_forces: ! |2
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6 4.8219397236633263e+01 4.8285164511929111e+01 -1.0747638213349413e+01
7 -5.8634607194216692e-01 -6.3233743629156669e-01 1.0383344595612556e-01
8 -1.2929259770150057e+02 -1.2792104504168864e+02 3.5442276689212186e+01
9 4.0812216407774713e+01 3.9391744426659102e+01 -1.6279309297840655e+01
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run_energy: 153.944034579107
run_stress: ! |2-
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run_forces: ! |2
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7 -7.2155874473929338e-01 -7.7726240841103933e-01 1.2819678201933732e-01
8 -1.2924287528593078e+02 -1.2796250108943184e+02 3.5027244361064206e+01
9 4.0733850146077884e+01 3.9322136988774787e+01 -1.6232754109658686e+01
10 4.1334752947484731e+01 4.1442147939506299e+01 -8.4170633707759634e+00
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...
|
