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 10:48:40      -59.213005        13.639078
BFGS:    1 10:48:40      -61.263902        13.759535
BFGS:    2 10:48:40      -63.328651        13.844520
BFGS:    3 10:48:40      -65.401861        13.827381
BFGS:    4 10:48:40      -67.462983        13.696036
BFGS:    5 10:48:40      -69.493181        13.420617
BFGS:    6 10:48:40      -71.470665        12.989180
BFGS:    7 10:48:40      -73.369848        12.371179
BFGS:    8 10:48:40      -75.160190        11.530772
BFGS:    9 10:48:40      -76.806167        10.441139
BFGS:   10 10:48:40      -78.265373         9.023470
BFGS:   11 10:48:40      -79.485253         7.234289
BFGS:   12 10:48:40      -80.411675         5.072276
BFGS:   13 10:48:40      -80.971041         2.330009
BFGS:   14 10:48:40      -81.099030         0.396605
BFGS:   15 10:48:40      -81.102195         0.044846
BFGS:   16 10:48:40      -81.102232         0.006845
BFGS:   17 10:48:40      -81.102234         0.007895
BFGS:   18 10:48:40      -81.102263         0.023728
BFGS:   19 10:48:40      -81.102287         0.025879
BFGS:   20 10:48:40      -81.102306         0.014319
BFGS:   21 10:48:40      -81.102310         0.003712
BFGS:   22 10:48:40      -81.102310         0.000183
BFGS:   23 10:48:41      -81.102310         0.000012
BFGS:   24 10:48:41      -81.102310         0.000001
BFGS:   25 10:48:41      -81.102310         0.000000
BFGS:   26 10:48:41      -81.102310         0.000000
Minimization converged after 26 steps.
Maximum force component: 3.48713714063147e-30 eV/Angstrom
Maximum stress component: 3.547178365338468e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'O', 'O', 'O']
basis =  [[2.21695936e-32 0.00000000e+00 1.64346022e-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([[2.7069748929021054, 1.6595850002616294e-17, -1.9420593055541182e-30], [-1.3534874464510527, 2.344309024659882, -3.81013051365429e-30], [-4.714605933624905e-30, -1.1899903851768749e-29, 6.630707234099452]])
forces =  [[ 2.37269629e-31  4.10963053e-31  3.48713714e-30]
 [-2.37269629e-31 -1.23288916e-30  5.81189523e-31]
 [-2.47944554e-60 -6.25824595e-60  3.48713714e-30]
 [ 1.11569881e-47 -4.10963053e-31  8.38148964e-61]
 [-2.37269629e-31  4.10963053e-31 -6.67925112e-61]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [3.54717837e-11 3.54717837e-11 3.34831451e-11 2.35875286e-39
 8.20630923e-40 1.18034296e-27]
energy per atom =  -13.517051717971931
===============================================
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.