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---
lammps_version: 17 Feb 2022
date_generated: Fri Mar 18 22:18:03 2022
epsilon: 5e-11
skip_tests:
prerequisites: ! |
atom full
improper harmonic
pre_commands: ! ""
post_commands: ! ""
input_file: in.fourmol
improper_style: harmonic
improper_coeff: ! |
1 75.0 120.2
2 45.0 59.5
extract: ! ""
natoms: 29
init_energy: 369.34096479618404
init_stress: ! |2-
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init_forces: ! |2
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6 3.7989457613970035e+02 4.0678659525075454e+02 -6.6164267808209388e+01
7 -1.1642694859483163e+02 -1.2586825161550951e+02 2.0252962148915685e+01
8 -2.4087469265734444e+02 -2.4851124636626128e+02 5.3568634557991118e+01
9 4.0812216407774713e+01 3.9391744426659102e+01 -1.6279309297840655e+01
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run_energy: 367.81576934768134
run_stress: ! |2-
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run_forces: ! |2
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8 -2.4054487769196521e+02 -2.4809955664319341e+02 5.1543474184702063e+01
9 4.0680827895392440e+01 3.9230443932044977e+01 -1.6173170322991950e+01
10 4.1295830262695517e+01 4.1393202769207278e+01 -8.2059310852745284e+00
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...
|
