element(s):
['Ca', '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:
['4.84']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'O']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.84, 0, 0], [0, 4.84, 0], [0, 0, 4.84]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:23:43      -28.174602        1.0816
BFGS:    1 14:23:43      -28.221764        0.9524
BFGS:    2 14:23:43      -28.331037        0.4941
BFGS:    3 14:23:43      -28.367987        0.0109
BFGS:    4 14:23:43      -28.368003        0.0012
BFGS:    5 14:23:43      -28.368003        0.0000
BFGS:    6 14:23:43      -28.368003        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5499555113793182e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca', '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 3.60893432e-69 7.17108127e-50]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.770743348118863, -4.403525271726057e-33, 3.596197684613208e-33], [-2.7894913316644798e-33, 4.770743348118863, -2.4009349143124207e-19], [-3.718659841811458e-33, -2.4009349143124226e-19, 4.770743348118863]])
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 =  [-1.54995551e-11 -1.54995551e-11 -1.54995551e-11  2.77040971e-29
 -2.25650921e-35  1.07615949e-52]
energy per atom =  -3.5460004095420135
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0