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:
Sim_LAMMPS_Buckingham_WangShinShin_2019_CrO__SM_295921111679_000
==== 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 19:24:56     -276.027426         2.626852
BFGS:    1 19:24:56     -276.596160         2.446580
BFGS:    2 19:24:56     -277.329000         2.193127
BFGS:    3 19:24:56     -278.031908         1.924316
BFGS:    4 19:24:56     -278.702791         1.639338
BFGS:    5 19:24:56     -279.339381         1.337343
BFGS:    6 19:24:56     -279.939517         1.017490
BFGS:    7 19:24:56     -280.512031         0.681202
BFGS:    8 19:24:56     -281.032041         0.322754
BFGS:    9 19:24:56     -281.462615         0.017769
BFGS:   10 19:24:56     -281.441057         0.000433
BFGS:   11 19:24:56     -281.441573         0.000000
BFGS:   12 19:24:56     -281.441573         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.028486268188222e-10 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 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 1.62389029e-49 6.49556116e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.213509803628817, 1.0677889475337102e-32, 4.057072466826464e-32], [1.2798501555814527e-32, 4.213509803628817, -7.5914946700294e-18], [-3.824612835169247e-32, -7.591494670029325e-18, 4.213509803628817]])
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 =  [ 8.02848627e-10  8.02848627e-10  8.02848627e-10 -8.71947070e-27
  5.78563719e-35 -1.30020078e-51]
energy per atom =  -35.18019665953013
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0