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:
Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000
==== 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 16:06:47      -29.030396        0.0732
BFGS:    1 16:06:47      -29.030569        0.0678
BFGS:    2 16:06:47      -29.031539        0.0179
BFGS:    3 16:06:47      -29.031545        0.0176
BFGS:    4 16:06:47      -29.031714        0.0001
BFGS:    5 16:06:47      -29.031714        0.0000
BFGS:    6 16:06:47      -29.031714        0.0000
Minimization converged after 6 steps.
Maximum force component: 1.4327568096370157e-31 eV/Angstrom
Maximum stress component: 5.502914389210487e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'O', 'O', 'O']
basis =  [[2.22551905e-32 1.66057960e-32 0.00000000e+00]
 [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([[3.050639366253632, -1.5179108890417991e-18, 3.327237128452292e-33], [-1.525319683126816, 2.6419311889605055, 8.698288985557428e-33], [8.154759931816702e-33, 1.7226267543383413e-30, 7.472509836551778]])
forces =  [[-1.25340111e-32  2.17095441e-32 -5.88453690e-32]
 [ 6.26700555e-33  2.17095441e-32 -1.02339772e-32]
 [-8.35600740e-33  1.44730294e-32 -6.14038633e-32]
 [ 8.35600740e-33 -1.44730294e-32  1.43275681e-31]
 [-6.26700555e-33 -3.61825734e-33  4.09359088e-32]
 [ 8.35600740e-33 -1.44730294e-32  1.43275681e-31]]
stress =  [5.50291439e-12 5.50291439e-12 4.09380656e-12 1.10996667e-33
 1.92251866e-33 1.12611781e-27]
energy per atom =  -4.838618950859657
===============================================
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.