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 11:14:52     -197.487218         4.976755
BFGS:    1 11:14:52     -197.920123         0.882875
BFGS:    2 11:14:52     -197.935427         0.067100
BFGS:    3 11:14:52     -197.935517         0.001013
BFGS:    4 11:14:52     -197.935517         0.000001
BFGS:    5 11:14:52     -197.935517         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.186382392907065e-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]
 [4.00689528e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.40562795e-38]
 [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]
 [8.76508341e-51 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.269064442702883, -1.3622048800452388e-33, 2.7601593397088696e-34], [-1.7931213937126065e-33, 4.269064442702883, 1.8191821924761756e-21], [-8.917043267399384e-35, 1.819182192476078e-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  1.04570083e-28
 -4.50882915e-34  1.18855226e-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 11:14:54     -187.564259        17.577743
BFGS:    1 11:14:55     -190.087149        15.996803
BFGS:    2 11:14:55     -192.347836        14.094593
BFGS:    3 11:14:55     -194.299267        11.867047
BFGS:    4 11:14:55     -195.889675         9.273834
BFGS:    5 11:14:55     -197.066169         6.362030
BFGS:    6 11:14:55     -197.766999         2.901011
BFGS:    7 11:14:55     -197.933957         0.293722
BFGS:    8 11:14:55     -197.935506         0.025190
BFGS:    9 11:14:55     -197.935517         0.000122
BFGS:   10 11:14:55     -197.935517         0.000000
BFGS:   11 11:14:55     -197.935517         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5598755216630776e-14 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]
 [5.80999815e-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 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 1.80454521e-34]
 [6.41103244e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.269064442703034, 7.940130747799987e-33, 1.7615791764418212e-32], [-6.9089860206289655e-34, 4.269064442703034, -1.1398318771906091e-17], [1.8353213644768687e-32, -1.1398318771906085e-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 =  [ 1.55987552e-14  1.55987552e-14  1.55987552e-14  1.16800741e-29
 -9.01765830e-34 -3.32059709e-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