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 20:19:06      -28.174602         1.081585
BFGS:    1 20:19:06      -28.221764         0.952353
BFGS:    2 20:19:06      -28.331037         0.494113
BFGS:    3 20:19:06      -28.367987         0.010934
BFGS:    4 20:19:06      -28.368003         0.001173
BFGS:    5 20:19:06      -28.368003         0.000002
BFGS:    6 20:19:06      -28.368003         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5500649450401884e-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]
 [6.72288869e-50 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 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.43421625e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.770743348118862, -2.1414278678416815e-34, 7.339410868036026e-33], [2.1392922716303414e-34, 4.770743348118862, -3.513738254478748e-19], [-9.566644807098922e-33, -3.513738254478487e-19, 4.770743348118862]])
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 =  [-1.55006495e-11 -1.55006495e-11 -1.55006495e-11 -6.88462068e-27
  7.33365494e-35  1.62858873e-50]
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