element(s):
['Fe', '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:
['4.3217']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'O']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.3217, 0, 0], [0, 4.3217, 0], [0, 0, 4.3217]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:29:31      -78.986355       13.6236
BFGS:    1 14:29:31      -81.037539       13.7195
BFGS:    2 14:29:31      -83.100232       13.7761
BFGS:    3 14:29:31      -85.172760       13.8470
BFGS:    4 14:29:31      -87.247588       13.8079
BFGS:    5 14:29:31      -89.313747       13.7226
BFGS:    6 14:29:31      -91.360357       13.5531
BFGS:    7 14:29:31      -93.375648       13.3031
BFGS:    8 14:29:31      -95.346687       12.9610
BFGS:    9 14:29:31      -97.258674       12.5134
BFGS:   10 14:29:31      -99.094700       11.9455
BFGS:   11 14:29:32     -100.835473       11.2404
BFGS:   12 14:29:32     -102.460195       10.3945
BFGS:   13 14:29:32     -103.943868        9.3563
BFGS:   14 14:29:32     -105.257006        8.1164
BFGS:   15 14:29:32     -106.367339        6.6474
BFGS:   16 14:29:32     -107.247066        4.9851
BFGS:   17 14:29:32     -107.847235        2.9649
BFGS:   18 14:29:32     -108.122296        0.6949
BFGS:   19 14:29:32     -108.136142        0.0978
BFGS:   20 14:29:32     -108.136414        0.0020
BFGS:   21 14:29:32     -108.136414        0.0000
BFGS:   22 14:29:32     -108.136414        0.0000
Minimization converged after 22 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.7368307346022977e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'O', 'O', 'O', 'O']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.42985321e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.01233950e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [1.78731651e-48 5.00000000e-01 0.00000000e+00]
 [1.34048739e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.828240606532855, -1.7319842023903152e-32, 1.9533484937744194e-33], [-1.44941572548175e-32, 3.828240606532855, 1.0618547087195013e-17], [-1.9383906501651318e-33, 1.0618547087195011e-17, 3.828240606532855]])
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 =  [-3.73683073e-11 -3.73683073e-11 -3.73683073e-11 -1.61641804e-30
 -9.11137906e-34 -2.63688100e-51]
energy per atom =  -13.517051717971814
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0