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 14:26:02     -276.027426        2.6269
BFGS:    1 14:26:02     -276.596160        2.4466
BFGS:    2 14:26:02     -277.329000        2.1931
BFGS:    3 14:26:02     -278.031908        1.9243
BFGS:    4 14:26:03     -278.702791        1.6393
BFGS:    5 14:26:03     -279.339381        1.3373
BFGS:    6 14:26:03     -279.939517        1.0175
BFGS:    7 14:26:03     -280.512031        0.6812
BFGS:    8 14:26:03     -281.032041        0.3228
BFGS:    9 14:26:03     -281.462615        0.0178
BFGS:   10 14:26:03     -281.441057        0.0004
BFGS:   11 14:26:03     -281.441573        0.0000
BFGS:   12 14:26:03     -281.441573        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.028716840986768e-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 3.65667585e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.74334174e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 3.65667585e-34]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.213509803628309, -2.374050573306039e-32, 2.044594584426427e-32], [-3.062789520162632e-32, 4.213509803628309, -2.0596629198626036e-17], [-1.0942164899955204e-32, -2.0596629198626e-17, 4.213509803628309]])
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 =  [ 8.02871684e-10  8.02871684e-10  8.02871684e-10 -1.18408968e-25
  4.62850975e-34 -4.61698040e-50]
energy per atom =  -35.180196659527375
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0