element(s):
['Cr', 'O']
AFLOW prototype label:
A3B_cP8_223_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.2114']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'O']
representative atom coordinates =  [[0.25 0.   0.5 ]
 [0.   0.   0.  ]]
spacegroup =  223
cell =  [[5.2114, 0, 0], [0, 5.2114, 0], [0, 0, 5.2114]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:10:42      -57.680860         7.689693
BFGS:    1 15:10:42      -58.818524         7.469811
BFGS:    2 15:10:42      -59.918816         7.190146
BFGS:    3 15:10:42      -60.972180         6.842703
BFGS:    4 15:10:42      -61.967791         6.418512
BFGS:    5 15:10:42      -62.893396         5.907512
BFGS:    6 15:10:42      -63.738040         5.336569
BFGS:    7 15:10:42      -64.486137         4.618485
BFGS:    8 15:10:42      -65.117428         3.782641
BFGS:    9 15:10:42      -65.612931         2.799171
BFGS:   10 15:10:42      -65.949246         1.656973
BFGS:   11 15:10:42      -66.101085         0.335939
BFGS:   12 15:10:42      -66.106940         0.031169
BFGS:   13 15:10:42      -66.106989         0.000515
BFGS:   14 15:10:42      -66.106989         0.000001
BFGS:   15 15:10:42      -66.106989         0.000000
Minimization converged after 15 steps.
Maximum force component: 1.9908569730643125e-32 eV/Angstrom
Maximum stress component: 1.2519871636643385e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'O', 'O']
basis =  [[2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 4.76958811e-34]
 [5.00000000e-01 7.50000000e-01 1.90783524e-33]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[4.845525190797181, -2.3435562502994673e-32, 1.6821251913288353e-32], [-1.5656959655146887e-32, 4.845525190797181, -2.035824098992933e-17], [-9.720666220411705e-33, -2.0358240989929312e-17, 4.845525190797181]])
forces =  [[-1.04267796e-64  1.99085697e-32  1.99085697e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.99085697e-32 -6.27336735e-50  1.49314273e-32]
 [-1.99694103e-65 -4.18224490e-50  9.95428487e-33]
 [ 1.99085697e-32  4.97714243e-33 -2.09112245e-50]
 [ 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]]
stress =  [-1.25198716e-12 -1.25198716e-12 -1.25198716e-12 -6.38942896e-30
 -3.14985091e-33  1.34519792e-49]
energy per atom =  -8.26337367691874
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0