element(s):
['Ga']
AFLOW prototype label:
A_tI2_139_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9197', '1.4818988']
model name:
Sim_LAMMPS_BOP_MurdickZhouWadley_2006_GaAs__SM_104202807866_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[2.9197, 0, 0], [0, 2.9197, 0], [0, 0, 4.3267]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:08:44       -5.651841        0.5242
BFGS:    1 17:08:44       -5.658493        0.4479
BFGS:    2 17:08:44       -5.672103        0.0898
BFGS:    3 17:08:45       -5.672378        0.0800
BFGS:    4 17:08:45       -5.673043        0.1065
BFGS:    5 17:08:45       -5.674213        0.1156
BFGS:    6 17:08:45       -5.675337        0.0799
BFGS:    7 17:08:45       -5.675796        0.0250
BFGS:    8 17:08:45       -5.675855        0.0054
BFGS:    9 17:08:45       -5.675858        0.0003
BFGS:   10 17:08:45       -5.675858        0.0000
BFGS:   11 17:08:45       -5.675858        0.0000
BFGS:   12 17:08:45       -5.675858        0.0000
BFGS:   13 17:08:45       -5.675858        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3289029475492778e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9211097874352987, -1.7153668574851953e-35, -3.0033015833859577e-32], [3.591176939642721e-35, 2.921109787435298, 3.532986410607575e-17], [1.0349306300712973e-32, 5.188199499877451e-17, 4.131073078866352]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.32890295e-11 -1.32890295e-11  9.02247694e-13 -1.20625727e-27
  3.78128174e-44 -1.43413390e-59]
energy per atom =  -2.8379291400868585
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tI2_139_a, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.