element(s):
['As', 'Ga']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7352']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['As', 'Ga']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[5.7352, 0, 0], [0, 5.7352, 0], [0, 0, 5.7352]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:34:25      -46.865810        6.1949
BFGS:    1 09:34:25      -47.781676        6.0090
BFGS:    2 09:34:25      -48.666029        5.7737
BFGS:    3 09:34:26      -49.510979        5.4824
BFGS:    4 09:34:26      -50.307592        5.1279
BFGS:    5 09:34:26      -51.045758        4.7017
BFGS:    6 09:34:26      -51.714053        4.1946
BFGS:    7 09:34:26      -52.300398        3.6094
BFGS:    8 09:34:26      -52.790619        2.9086
BFGS:    9 09:34:26      -53.167185        2.0917
BFGS:   10 09:34:26      -53.411595        1.1439
BFGS:   11 09:34:26      -53.507887        0.0999
BFGS:   12 09:34:26      -53.508513        0.0131
BFGS:   13 09:34:26      -53.508523        0.0001
BFGS:   14 09:34:26      -53.508523        0.0000
BFGS:   15 09:34:26      -53.508523        0.0000
Minimization converged after 15 steps.
Maximum force component: 3.509029999617352e-30 eV/Angstrom
Maximum stress component: 1.3021932442436432e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['As', 'As', 'As', 'As', 'Ga', 'Ga', 'Ga', 'Ga']
basis =  [[1.02834600e-33 1.28395330e-34 1.02716264e-33]
 [1.28840927e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.44322015e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.88644030e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.33786878228056, -7.090458810110726e-33, -4.648478751025741e-34], [-5.298032366489713e-34, 5.33786878228056, 1.971853684186967e-17], [1.1193160972458714e-32, 1.9718536841869658e-17, 5.33786878228056]])
forces =  [[ 8.77257500e-32  2.63177250e-31 -3.50903000e-31]
 [ 1.75451500e-31  1.75451500e-31 -1.75451500e-31]
 [ 2.63177250e-31 -2.63177250e-31 -4.38628750e-31]
 [-2.63177250e-31  2.63177250e-31 -5.26354500e-31]
 [-1.05270900e-30 -1.40361200e-30 -2.41245812e-30]
 [ 2.67289395e-31  1.64485781e-30  1.49133775e-30]
 [-1.49133775e-30 -1.75451500e-31 -1.75451500e-31]
 [-5.26354500e-31  1.53520062e-30  3.50903000e-30]]
stress =  [-1.30219324e-14 -1.30219324e-14 -1.30219324e-14 -1.92624729e-30
  4.61438042e-33  2.17397857e-48]
energy per atom =  -6.688565426167542
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0