element(s):
['Ga']
AFLOW prototype label:
A_mC2_12_a
Parameter names:
['a', 'b/a', 'c/a', 'beta']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0582', '1.0145385', '0.73249224', '132.5951']
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 =  12
cell =  [[4.0582, 0, 0], [0, 4.1172, 0], [-2.0118943694303, 0, 2.188294268661]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:26:54       -5.650862         0.564492
BFGS:    1 15:26:54       -5.656434         0.441373
BFGS:    2 15:26:54       -5.666465         0.215969
BFGS:    3 15:26:54       -5.668371         0.144823
BFGS:    4 15:26:54       -5.669010         0.151093
BFGS:    5 15:26:54       -5.673756         0.132271
BFGS:    6 15:26:54       -5.675267         0.074704
BFGS:    7 15:26:54       -5.675665         0.037175
BFGS:    8 15:26:54       -5.675711         0.030478
BFGS:    9 15:26:54       -5.675768         0.025514
BFGS:   10 15:26:54       -5.675825         0.018041
BFGS:   11 15:26:54       -5.675852         0.007490
BFGS:   12 15:26:54       -5.675857         0.002687
BFGS:   13 15:26:55       -5.675857         0.001590
BFGS:   14 15:26:55       -5.675857         0.001453
BFGS:   15 15:26:55       -5.675857         0.001612
BFGS:   16 15:26:55       -5.675858         0.001615
BFGS:   17 15:26:55       -5.675858         0.001173
BFGS:   18 15:26:55       -5.675858         0.000475
BFGS:   19 15:26:55       -5.675858         0.000070
BFGS:   20 15:26:55       -5.675858         0.000006
BFGS:   21 15:26:55       -5.675858         0.000001
BFGS:   22 15:26:55       -5.675858         0.000000
BFGS:   23 15:26:55       -5.675858         0.000000
Minimization converged after 23 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2459022602533575e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.131036300770796, 1.2929777742509257e-19, -0.01743171977019002], [1.611939637704276e-19, 4.13107308175157, 5.817600126774241e-18], [-2.0568022909265746, 3.209368359036353e-18, 2.074234008892521]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.62005307e-11  2.24590226e-10 -4.55474911e-11  6.69070791e-30
 -7.08193016e-11  4.19636108e-30]
energy per atom =  -2.8379291400868576
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_mC2_12_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.