element(s):
['Ga']
AFLOW prototype label:
A_cI12_220_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.0491']
model name:
Sim_LAMMPS_BOP_MurdickZhouWadley_2006_GaAs__SM_104202807866_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.375 0.    0.25 ]]
spacegroup =  220
cell =  [[6.0491, 0, 0], [0, 6.0491, 0], [0, 0, 6.0491]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:32:16      -30.661689        0.9121
BFGS:    1 17:32:16      -30.696872        0.8880
BFGS:    2 17:32:16      -30.822867        0.7908
BFGS:    3 17:32:16      -30.933725        0.6861
BFGS:    4 17:32:16      -31.028344        0.5743
BFGS:    5 17:32:16      -31.105636        0.4552
BFGS:    6 17:32:16      -31.164512        0.3287
BFGS:    7 17:32:17      -31.203913        0.1951
BFGS:    8 17:32:17      -31.222769        0.0549
BFGS:    9 17:32:17      -31.224326        0.0021
BFGS:   10 17:32:17      -31.224328        0.0000
BFGS:   11 17:32:17      -31.224328        0.0000
BFGS:   12 17:32:17      -31.224328        0.0000
Minimization converged after 12 steps.
Maximum force component: 1.3234490500379398e-31 eV/Angstrom
Maximum stress component: 3.7143620903923833e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga']
basis =  [[3.75000000e-01 8.10610224e-33 2.50000000e-01]
 [1.25000000e-01 1.09177523e-32 7.50000000e-01]
 [6.25000000e-01 5.00000000e-01 2.50000000e-01]
 [8.75000000e-01 5.00000000e-01 7.50000000e-01]
 [2.50000000e-01 3.75000000e-01 0.00000000e+00]
 [7.50000000e-01 1.25000000e-01 5.26156738e-33]
 [2.50000000e-01 6.25000000e-01 5.00000000e-01]
 [7.50000000e-01 8.75000000e-01 5.00000000e-01]
 [1.00000000e+00 2.50000000e-01 3.75000000e-01]
 [1.00000000e+00 7.50000000e-01 1.25000000e-01]
 [5.00000000e-01 2.50000000e-01 6.25000000e-01]
 [5.00000000e-01 7.50000000e-01 8.75000000e-01]]
cellpar =  Cell([[5.856596884894515, -5.0635175657038804e-33, 3.6186450765230506e-33], [2.5806876615871475e-32, 5.856596884894515, 1.981891571939754e-18], [8.580224755271848e-33, 1.981891571939758e-18, 5.856596884894515]])
forces =  [[-1.08282195e-31 -2.40627100e-32 -8.14289989e-51]
 [-2.40627100e-32  4.81254200e-32 -1.20313550e-32]
 [-5.41410975e-32 -1.80470325e-32  2.40627100e-32]
 [ 9.62508400e-32  3.60940650e-32  1.22143498e-50]
 [-1.20313550e-32  2.70705488e-32  3.60940650e-32]
 [ 3.60940650e-32  4.51175813e-32  1.20313550e-32]
 [ 3.60940650e-32 -2.40627100e-32 -3.60940650e-32]
 [ 2.40627100e-32  2.40627100e-32 -5.86528556e-32]
 [ 3.34622061e-32  3.25715996e-50  9.62508400e-32]
 [ 5.41410975e-32  2.18068309e-32 -4.81254200e-32]
 [ 3.00783875e-32  4.51175813e-32 -3.00783875e-32]
 [-1.20313550e-32 -5.26371781e-33 -1.32344905e-31]]
stress =  [-3.71436209e-14 -3.71436209e-14 -3.71436209e-14  1.70583022e-29
 -4.79146734e-34  5.70615058e-50]
energy per atom =  -2.602027365968443
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0