element(s):
['Cr', 'O']
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:
['4.453']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'O']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.453, 0, 0], [0, 4.453, 0], [0, 0, 4.453]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:37:17      -97.373557        16.350605
BFGS:    1 15:37:17      -99.832104        16.433012
BFGS:    2 15:37:17     -102.301472        16.511223
BFGS:    3 15:37:17     -104.775348        16.462638
BFGS:    4 15:37:17     -107.236667        16.342089
BFGS:    5 15:37:17     -109.673839        16.138776
BFGS:    6 15:37:17     -112.073555        15.840519
BFGS:    7 15:37:17     -114.420564        15.433585
BFGS:    8 15:37:17     -116.697426        14.902492
BFGS:    9 15:37:17     -118.886500        14.249460
BFGS:   10 15:37:17     -120.963588        13.416404
BFGS:   11 15:37:17     -122.902255        12.399934
BFGS:   12 15:37:17     -124.673152        11.175046
BFGS:   13 15:37:17     -126.242945         9.713552
BFGS:   14 15:37:17     -127.573805         7.983661
BFGS:   15 15:37:17     -128.630418         6.044023
BFGS:   16 15:37:18     -129.363537         3.669857
BFGS:   17 15:37:18     -129.711880         0.905598
BFGS:   18 15:37:18     -129.732036         0.093345
BFGS:   19 15:37:18     -129.732245         0.002057
BFGS:   20 15:37:18     -129.732245         0.000005
BFGS:   21 15:37:18     -129.732245         0.000000
Minimization converged after 21 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.51088602928164e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'O', 'O', 'O', 'O']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.69854686e-35 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 4.36434609e-34]
 [0.00000000e+00 4.84927343e-35 5.00000000e-01]]
cellpar =  Cell([[3.9715845528802327, 1.0009416297358116e-32, 7.401681832314681e-33], [1.3987629278504713e-33, 3.9715845528802327, -1.902546611508496e-18], [-2.0796145236776854e-33, -1.902546611508458e-18, 3.9715845528802327]])
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 =  [-2.51088603e-11 -2.51088603e-11 -2.51088603e-11 -2.20677877e-27
 -8.79114324e-34 -4.08479582e-50]
energy per atom =  -16.21653063187856
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0