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 16:18:42       -5.651841         0.524246
BFGS:    1 16:18:42       -5.658493         0.447867
BFGS:    2 16:18:42       -5.672103         0.089789
BFGS:    3 16:18:42       -5.672378         0.080011
BFGS:    4 16:18:42       -5.673043         0.106535
BFGS:    5 16:18:42       -5.674213         0.115612
BFGS:    6 16:18:42       -5.675337         0.079873
BFGS:    7 16:18:42       -5.675796         0.024961
BFGS:    8 16:18:42       -5.675855         0.005355
BFGS:    9 16:18:42       -5.675858         0.000305
BFGS:   10 16:18:42       -5.675858         0.000046
BFGS:   11 16:18:42       -5.675858         0.000002
BFGS:   12 16:18:43       -5.675858         0.000000
BFGS:   13 16:18:43       -5.675858         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3288732037774216e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9211097874353014, 7.569992872069407e-35, 8.903186733217509e-35], [6.885139466780672e-35, 2.9211097874353, -5.315093586237982e-19], [-6.3211537951394e-33, -9.216479351126301e-19, 4.131073078866348]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.32887320e-11 -1.32887320e-11  9.02369740e-13 -2.15347395e-27
 -2.55358143e-34 -2.01480439e-51]
energy per atom =  -2.837929140086858
===============================================
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.