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 16:04:57      -59.213005       13.6391
BFGS:    1 16:04:57      -61.263902       13.7595
BFGS:    2 16:04:57      -63.328651       13.8445
BFGS:    3 16:04:57      -65.401861       13.8274
BFGS:    4 16:04:57      -67.462983       13.6960
BFGS:    5 16:04:57      -69.493181       13.4206
BFGS:    6 16:04:57      -71.470665       12.9892
BFGS:    7 16:04:58      -73.369848       12.3712
BFGS:    8 16:04:58      -75.160190       11.5308
BFGS:    9 16:04:58      -76.806167       10.4411
BFGS:   10 16:04:58      -78.265373        9.0235
BFGS:   11 16:04:58      -79.485253        7.2343
BFGS:   12 16:04:58      -80.411675        5.0723
BFGS:   13 16:04:58      -80.971041        2.3300
BFGS:   14 16:04:58      -81.099030        0.3966
BFGS:   15 16:04:58      -81.102195        0.0448
BFGS:   16 16:04:58      -81.102232        0.0068
BFGS:   17 16:04:58      -81.102234        0.0079
BFGS:   18 16:04:58      -81.102263        0.0237
BFGS:   19 16:04:58      -81.102287        0.0259
BFGS:   20 16:04:58      -81.102306        0.0143
BFGS:   21 16:04:58      -81.102310        0.0037
BFGS:   22 16:04:58      -81.102310        0.0002
BFGS:   23 16:04:58      -81.102310        0.0000
BFGS:   24 16:04:58      -81.102310        0.0000
BFGS:   25 16:04:58      -81.102310        0.0000
BFGS:   26 16:04:58      -81.102310        0.0000
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.