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|
---
lammps_version: 10 Mar 2021
date_generated: Wed Apr 7 19:30:07 2021
epsilon: 1.5e-08
prerequisites: ! |
pair pace
pre_commands: ! |
variable newton_pair delete
variable newton_pair index on
post_commands: ! ""
input_file: in.manybody
pair_style: pace recursive
pair_coeff: ! |
* * Cu-PBE-core-rep.ace Cu Cu Cu Cu Cu Cu Cu Cu
extract: ! ""
natoms: 64
init_vdwl: -161.633164433261
init_coul: 0
init_stress: ! |2-
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init_forces: ! |2
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run_vdwl: -161.618480729193
run_coul: 0
run_stress: ! |2-
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run_forces: ! |2
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...
|
