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 19:25:09      -78.986355        13.623608
BFGS:    1 19:25:09      -81.037539        13.719460
BFGS:    2 19:25:09      -83.100232        13.776068
BFGS:    3 19:25:09      -85.172760        13.847049
BFGS:    4 19:25:09      -87.247588        13.807880
BFGS:    5 19:25:09      -89.313747        13.722563
BFGS:    6 19:25:09      -91.360357        13.553074
BFGS:    7 19:25:09      -93.375648        13.303122
BFGS:    8 19:25:10      -95.346687        12.960981
BFGS:    9 19:25:10      -97.258674        12.513422
BFGS:   10 19:25:10      -99.094700        11.945516
BFGS:   11 19:25:10     -100.835473        11.240426
BFGS:   12 19:25:10     -102.460195        10.394466
BFGS:   13 19:25:10     -103.943868         9.356314
BFGS:   14 19:25:10     -105.257006         8.116394
BFGS:   15 19:25:10     -106.367339         6.647408
BFGS:   16 19:25:10     -107.247066         4.985130
BFGS:   17 19:25:11     -107.847235         2.964914
BFGS:   18 19:25:11     -108.122296         0.694895
BFGS:   19 19:25:11     -108.136142         0.097830
BFGS:   20 19:25:12     -108.136414         0.001959
BFGS:   21 19:25:12     -108.136414         0.000005
BFGS:   22 19:25:12     -108.136414         0.000000
Minimization converged after 22 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.737722020349102e-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]
 [5.36194954e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.00616975e-34 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 2.23414564e-50]
 [8.93658257e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 1.00616975e-34 5.00000000e-01]]
cellpar =  Cell([[3.8282406065328547, -1.0646976496761091e-32, 4.975568083010498e-34], [-1.1046622466442605e-32, 3.8282406065328547, 6.873249247968065e-18], [9.348642464633029e-35, 6.873249247968064e-18, 3.8282406065328547]])
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 =  [-3.73772202e-11 -3.73772202e-11 -3.73772202e-11 -6.42794412e-28
  1.40175062e-34  1.86586754e-51]
energy per atom =  -13.517051717971812
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0