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:
Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'O']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 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 14:30:55      -38.707718        0.0596
BFGS:    1 14:30:55      -38.707866        0.0559
BFGS:    2 14:30:55      -38.708952        0.0001
BFGS:    3 14:30:55      -38.708952        0.0000
BFGS:    4 14:30:55      -38.708952        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0403648323770873e-13 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]
 [3.96492370e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 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 3.96492370e-50]
 [1.58596948e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.31425556565569, -3.637671556624772e-39, 2.4110164430974627e-33], [2.3808752116859688e-33, 4.31425556565569, 1.4545850796947685e-20], [3.399605395025282e-33, 1.454585079694554e-20, 4.31425556565569]])
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 =  [ 1.04036483e-13  1.04036483e-13  1.04036483e-13 -3.08823501e-30
  3.44911357e-35 -9.86220633e-52]
energy per atom =  -4.838618950859639
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0