element(s):
['Fe', 'O']
AFLOW prototype label:
AB_hR2_166_a_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0610472', '2.4380211']
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.  0.  0.5]]
spacegroup =  166
cell =  [[3.061, 0, 0], [-1.5305, 2.6509037609842, 0], [0, 0, 7.4629]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:22:12      -59.213005        13.639078
BFGS:    1 12:22:12      -61.263902        13.759535
BFGS:    2 12:22:12      -63.328651        13.844520
BFGS:    3 12:22:12      -65.401861        13.827381
BFGS:    4 12:22:12      -67.462983        13.696036
BFGS:    5 12:22:12      -69.493181        13.420617
BFGS:    6 12:22:12      -71.470665        12.989180
BFGS:    7 12:22:12      -73.369848        12.371179
BFGS:    8 12:22:12      -75.160190        11.530772
BFGS:    9 12:22:12      -76.806167        10.441139
BFGS:   10 12:22:12      -78.265373         9.023470
BFGS:   11 12:22:12      -79.485253         7.234289
BFGS:   12 12:22:12      -80.411675         5.072276
BFGS:   13 12:22:13      -80.971041         2.330009
BFGS:   14 12:22:13      -81.099030         0.396605
BFGS:   15 12:22:13      -81.102195         0.044846
BFGS:   16 12:22:13      -81.102232         0.006845
BFGS:   17 12:22:13      -81.102234         0.007895
BFGS:   18 12:22:13      -81.102263         0.023728
BFGS:   19 12:22:13      -81.102287         0.025879
BFGS:   20 12:22:13      -81.102306         0.014319
BFGS:   21 12:22:13      -81.102310         0.003712
BFGS:   22 12:22:13      -81.102310         0.000183
BFGS:   23 12:22:14      -81.102310         0.000012
BFGS:   24 12:22:14      -81.102310         0.000001
BFGS:   25 12:22:14      -81.102310         0.000000
BFGS:   26 12:22:14      -81.102310         0.000000
Minimization converged after 26 steps.
Maximum force component: 6.720003864758566e-30 eV/Angstrom
Maximum stress component: 3.5477706759302356e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'O', 'O', 'O']
basis =  [[1.02716264e-32 5.22141007e-33 1.91737026e-32]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]
 [1.00000000e+00 1.00000000e+00 5.00000000e-01]
 [6.66666667e-01 3.33333333e-01 8.33333333e-01]
 [3.33333333e-01 6.66666667e-01 1.66666667e-01]]
cellpar =  Cell([[2.706974892902104, 3.923837992992697e-17, -1.94205996612641e-30], [-1.353487446451052, 2.344309024659883, -3.810134699201655e-30], [-4.71462610055618e-30, -1.1899935058625341e-29, 6.6307072340994555]])
forces =  [[ 2.84723555e-30 -8.21926106e-31 -8.71784285e-31]
 [ 9.49078518e-31  1.37571662e-47 -2.32475809e-30]
 [ 3.32177481e-30 -8.21926106e-31 -5.81189523e-31]
 [ 4.74539259e-31  6.87858309e-48  4.06832666e-30]
 [ 4.74539259e-31 -8.21926106e-31  6.72000386e-30]
 [ 4.74539259e-31  6.87858309e-48  4.06832666e-30]]
stress =  [3.54777068e-11 3.54777068e-11 3.34897977e-11 5.63875719e-33
 9.76661067e-33 1.43034498e-26]
energy per atom =  -13.517051717971926
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB_hR2_166_a_b, while relaxed is AB_cF8_225_a_b. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.