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 10:33:52      -57.680860         7.689693
BFGS:    1 10:33:53      -58.818524         7.469811
BFGS:    2 10:33:53      -59.918816         7.190146
BFGS:    3 10:33:53      -60.972180         6.842703
BFGS:    4 10:33:53      -61.967791         6.418512
BFGS:    5 10:33:53      -62.893396         5.907512
BFGS:    6 10:33:53      -63.738040         5.336569
BFGS:    7 10:33:53      -64.486137         4.618485
BFGS:    8 10:33:53      -65.117428         3.782641
BFGS:    9 10:33:53      -65.612931         2.799171
BFGS:   10 10:33:53      -65.949246         1.656973
BFGS:   11 10:33:53      -66.101085         0.335939
BFGS:   12 10:33:53      -66.106940         0.031169
BFGS:   13 10:33:53      -66.106989         0.000515
BFGS:   14 10:33:53      -66.106989         0.000001
BFGS:   15 10:33:53      -66.106989         0.000000
Minimization converged after 15 steps.
Maximum force component: 2.548296925522319e-30 eV/Angstrom
Maximum stress component: 1.256988773130308e-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 1.19239703e-34]
 [5.00000000e-01 7.50000000e-01 3.17972541e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [2.94706230e-36 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([[4.845525190797179, -2.859903006510239e-32, -3.489707896345195e-33], [-1.2050753162040393e-32, 4.845525190797179, -6.154613335738079e-18], [-4.575333971224156e-33, -6.154613335738061e-18, 4.845525190797179]])
forces =  [[-6.51005995e-65  2.23971409e-32  9.95428487e-33]
 [-3.67365204e-65  2.48857122e-33  3.23514258e-32]
 [ 4.97714243e-33 -2.54829693e-30  1.99085697e-32]
 [ 3.98171395e-32 -1.27414846e-30  2.48857122e-33]
 [ 3.66432391e-32  9.95428487e-33 -2.54829693e-30]
 [-3.73285682e-33  3.23514258e-32 -1.27414846e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.25698877e-12 -1.25698877e-12 -1.25698877e-12  3.28681501e-29
 -6.64968526e-33  2.87928145e-49]
energy per atom =  -8.263373676918736
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0