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 16:34:43       -2.852232         0.507163
BFGS:    1 16:34:43       -2.861245         0.320225
BFGS:    2 16:34:44       -2.866789         0.028294
BFGS:    3 16:34:44       -2.866830         0.001257
BFGS:    4 16:34:44       -2.866830         0.000003
BFGS:    5 16:34:44       -2.866830         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.941507671726093e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['As']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.6825046770182475, -3.0921188972809825e-33, -3.4163139399368375e-33], [-4.736134289106302e-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 -2.11202492e-27
 -4.46075386e-36  9.57057435e-52]
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