element(s):
['O', 'V']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['4.2364']
Parameter values for parameter set 1:
['4.4576']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'V']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.2364, 0, 0], [0, 4.2364, 0], [0, 0, 4.2364]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:55:17     -197.487218         4.976755
BFGS:    1 16:55:18     -197.920123         0.882875
BFGS:    2 16:55:18     -197.935427         0.067100
BFGS:    3 16:55:19     -197.935517         0.001013
BFGS:    4 16:55:19     -197.935517         0.000001
BFGS:    5 16:55:19     -197.935517         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.186382392907064e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'V', 'V', 'V', 'V']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.01034291e-50 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 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [2.00344764e-50 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.269064442702883, -6.40856778608263e-34, -7.477740061600713e-34], [-1.4171745037945856e-33, 4.269064442702883, 1.8188454739576387e-21], [2.3536283612234332e-34, 1.818845473954287e-21, 4.269064442702883]])
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 =  [-2.18638239e-12 -2.18638239e-12 -2.18638239e-12  4.50958607e-30
  4.50882915e-34 -1.46542682e-50]
energy per atom =  -24.741939671234036
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'V']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.4576, 0, 0], [0, 4.4576, 0], [0, 0, 4.4576]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:55:36     -187.564259        17.577743
BFGS:    1 16:55:36     -190.087149        15.996803
BFGS:    2 16:55:37     -192.347836        14.094593
BFGS:    3 16:55:38     -194.299267        11.867047
BFGS:    4 16:55:38     -195.889675         9.273834
BFGS:    5 16:55:38     -197.066169         6.362030
BFGS:    6 16:55:39     -197.766999         2.901011
BFGS:    7 16:55:39     -197.933957         0.293722
BFGS:    8 16:55:40     -197.935506         0.025190
BFGS:    9 16:55:40     -197.935517         0.000122
BFGS:   10 16:55:41     -197.935517         0.000000
BFGS:   11 16:55:41     -197.935517         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5606365675195983e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'V', 'V', 'V', 'V']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.5 0.5 0.5]
 [0.5 0.  0. ]
 [0.  0.5 0. ]
 [0.  0.  0.5]]
cellpar =  Cell([[4.269064442703034, 5.820435810685761e-33, 1.99428121154245e-32], [-7.3647031098838675e-34, 4.269064442703034, 2.0812121693917764e-17], [3.2069845617705025e-32, 2.0812121693917724e-17, 4.269064442703034]])
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 =  [ 1.56063657e-14  1.56063657e-14  1.56063657e-14 -8.53221902e-30
 -1.57809020e-33  6.57835436e-49]
energy per atom =  -24.74193967123416
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0