element(s):
['Ce', '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:
['5.035']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ce', 'O']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.035, 0, 0], [0, 5.035, 0], [0, 0, 5.035]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:37:17      -99.126670       104.821767
BFGS:    1 15:37:17     -113.808711        91.178642
BFGS:    2 15:37:17     -126.548657        78.903894
BFGS:    3 15:37:17     -137.541650        67.864990
BFGS:    4 15:37:17     -146.965366        57.956805
BFGS:    5 15:37:17     -154.978323        49.042324
BFGS:    6 15:37:17     -161.723621        41.039317
BFGS:    7 15:37:17     -167.331291        33.860060
BFGS:    8 15:37:17     -171.918854        27.425349
BFGS:    9 15:37:17     -175.595009        21.720063
BFGS:   10 15:37:17     -178.463866        16.643368
BFGS:   11 15:37:17     -180.608182        12.034648
BFGS:   12 15:37:17     -182.099121         7.923309
BFGS:   13 15:37:17     -183.007647         4.261573
BFGS:   14 15:37:17     -183.397905         1.006214
BFGS:   15 15:37:17     -183.422860         0.076023
BFGS:   16 15:37:18     -183.423007         0.001516
BFGS:   17 15:37:18     -183.423007         0.000002
BFGS:   18 15:37:18     -183.423007         0.000000
Minimization converged after 18 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.8549694036402e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ce', 'Ce', 'Ce', 'Ce', 'O', 'O', 'O', 'O']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.97761917e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.80845012e-34 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]
 [9.97761917e-49 5.00000000e-01 7.02112531e-35]
 [7.48321438e-49 3.51056265e-34 5.00000000e-01]]
cellpar =  Cell([[5.4861004754741955, -1.4114180818440525e-33, -1.268632509783493e-32], [-4.1256542945813747e-32, 5.4861004754741955, 5.532478211904215e-18], [1.1175425187005889e-32, 5.5324782119042e-18, 5.4861004754741955]])
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 =  [-3.85496940e-12 -3.85496940e-12 -3.85496940e-12  4.69939528e-29
  6.82561353e-35 -7.14391190e-52]
energy per atom =  -22.927875887095574
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0