element(s):
['O', 'Ta']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5386']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Ta']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.5386, 0, 0], [0, 4.5386, 0], [0, 0, 4.5386]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:12:07     -253.459961        27.598678
BFGS:    1 12:12:07     -257.014429        19.947113
BFGS:    2 12:12:07     -259.487581        13.165610
BFGS:    3 12:12:07     -261.003182         7.165806
BFGS:    4 12:12:07     -261.672422         1.868252
BFGS:    5 12:12:07     -261.725568         0.153907
BFGS:    6 12:12:07     -261.725943         0.003734
BFGS:    7 12:12:07     -261.725943         0.000008
BFGS:    8 12:12:07     -261.725943         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1596550198215944e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.13024749e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.26049497e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.46735867e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 8.26049497e-35]
 [0.00000000e+00 2.06512374e-35 5.00000000e-01]]
cellpar =  Cell([[4.66298920471499, -4.3367735403583164e-33, 1.1359593368008512e-32], [5.16519682092676e-33, 4.66298920471499, 1.5299267062612705e-18], [-2.741752717510902e-32, 1.5299267062612728e-18, 4.66298920471499]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.15965502e-11 -3.15965502e-11 -3.15965502e-11 -7.64529958e-27
  2.00124809e-58  2.48665909e-60]
energy per atom =  -32.71574284482946
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0