element(s):
['As']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7336']
model name:
Sim_LAMMPS_BOP_MurdickZhouWadley_2006_GaAs__SM_104202807866_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['As']
representative atom coordinates =  [[0 0 0]]
spacegroup =  221
cell =  [[2.7336, 0, 0], [0, 2.7336, 0], [0, 0, 2.7336]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:21:53       -2.852232        0.5072
BFGS:    1 18:21:53       -2.861245        0.3202
BFGS:    2 18:21:53       -2.866789        0.0283
BFGS:    3 18:21:53       -2.866830        0.0013
BFGS:    4 18:21:53       -2.866830        0.0000
BFGS:    5 18:21:53       -2.866830        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.941507671726098e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['As']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.6825046770182475, -3.0921191826099335e-33, -3.4163139399368375e-33], [-4.7361344716928485e-33, 2.6825046770182475, -5.061595141565022e-19], [-6.081454396825022e-34, -5.061595141565039e-19, 2.6825046770182475]])
forces =  [[0. 0. 0.]]
stress =  [ 7.94150767e-12  7.94150767e-12  7.94150767e-12  2.38406547e-27
  2.68014036e-60 -3.90595106e-60]
energy per atom =  -2.866829991520786
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0