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 16:55:19     -253.459961        27.598678
BFGS:    1 16:55:19     -257.014429        19.947113
BFGS:    2 16:55:20     -259.487581        13.165610
BFGS:    3 16:55:20     -261.003182         7.165806
BFGS:    4 16:55:21     -261.672422         1.868252
BFGS:    5 16:55:21     -261.725568         0.153907
BFGS:    6 16:55:22     -261.725943         0.003734
BFGS:    7 16:55:22     -261.725943         0.000008
BFGS:    8 16:55:22     -261.725943         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.159475348306636e-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]
 [1.46735867e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.38157245e-66 0.00000000e+00]
 [2.93471735e-49 5.00000000e-01 0.00000000e+00]
 [2.93471735e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.66298920471499, -1.66468348758588e-32, -1.2932477436843718e-32], [8.86247389920756e-33, 4.66298920471499, 2.1951883737208735e-17], [1.543522050679699e-32, 2.195188373720871e-17, 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 =  [-3.15947535e-11 -3.15947535e-11 -3.15947535e-11 -4.45308797e-27
  1.42330408e-58 -2.60964603e-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