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 19:02:58      -46.865810         6.194873
BFGS:    1 19:02:58      -47.781676         6.008953
BFGS:    2 19:02:58      -48.666029         5.773665
BFGS:    3 19:02:58      -49.510979         5.482428
BFGS:    4 19:02:58      -50.307592         5.127860
BFGS:    5 19:02:58      -51.045758         4.701679
BFGS:    6 19:02:58      -51.714053         4.194596
BFGS:    7 19:02:58      -52.300398         3.609439
BFGS:    8 19:02:59      -52.790619         2.908634
BFGS:    9 19:02:59      -53.167185         2.091715
BFGS:   10 19:02:59      -53.411595         1.143950
BFGS:   11 19:02:59      -53.507887         0.099909
BFGS:   12 19:02:59      -53.508513         0.013051
BFGS:   13 19:02:59      -53.508523         0.000078
BFGS:   14 19:02:59      -53.508523         0.000000
BFGS:   15 19:02:59      -53.508523         0.000000
Minimization converged after 15 steps.
Maximum force component: 1.9738293747847603e-30 eV/Angstrom
Maximum stress component: 1.2701043195647034e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['As', 'As', 'As', 'As', 'Ga', 'Ga', 'Ga', 'Ga']
basis =  [[5.13873929e-34 2.56790659e-34 5.13581319e-34]
 [2.56349868e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.69825163e-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, -8.274661879942699e-33, -1.3622719571971855e-33], [3.411757380841664e-33, 5.33786878228056, 7.515499284168308e-19], [4.3242640864893806e-33, 7.515499284168435e-19, 5.33786878228056]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-8.77257500e-32  1.05270900e-30  1.53520062e-30]
 [-3.59898316e-31 -9.64983250e-31  9.21120375e-31]
 [-3.59127289e-31  1.27202337e-30 -1.97382937e-30]
 [-3.94765875e-31 -8.77257500e-31  1.75451500e-31]]
stress =  [-1.27010432e-14 -1.27010432e-14 -1.27010432e-14 -9.88986899e-31
 -8.88142843e-63 -1.74483945e-63]
energy per atom =  -6.68856542616754
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0