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 15:40:19      -78.986355        13.623608
BFGS:    1 15:40:19      -81.037539        13.719460
BFGS:    2 15:40:19      -83.100232        13.776068
BFGS:    3 15:40:19      -85.172760        13.847049
BFGS:    4 15:40:19      -87.247588        13.807880
BFGS:    5 15:40:19      -89.313747        13.722563
BFGS:    6 15:40:19      -91.360357        13.553074
BFGS:    7 15:40:19      -93.375648        13.303122
BFGS:    8 15:40:19      -95.346687        12.960981
BFGS:    9 15:40:20      -97.258674        12.513422
BFGS:   10 15:40:20      -99.094700        11.945516
BFGS:   11 15:40:20     -100.835473        11.240426
BFGS:   12 15:40:20     -102.460195        10.394466
BFGS:   13 15:40:20     -103.943868         9.356314
BFGS:   14 15:40:20     -105.257006         8.116394
BFGS:   15 15:40:20     -106.367339         6.647408
BFGS:   16 15:40:20     -107.247066         4.985130
BFGS:   17 15:40:20     -107.847235         2.964914
BFGS:   18 15:40:20     -108.122296         0.694895
BFGS:   19 15:40:20     -108.136142         0.097830
BFGS:   20 15:40:20     -108.136414         0.001959
BFGS:   21 15:40:20     -108.136414         0.000005
BFGS:   22 15:40:20     -108.136414         0.000000
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