element(s):
['Fe']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9647']
model name:
Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:55:21       -8.281994        1.1483
BFGS:    1 17:55:21       -8.323249        0.6291
BFGS:    2 17:55:21       -8.350755        0.2868
BFGS:    3 17:55:21       -8.357237        0.0327
BFGS:    4 17:55:21       -8.357316        0.0014
BFGS:    5 17:55:21       -8.357316        0.0000
BFGS:    6 17:55:21       -8.357316        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.152205971361759e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8886456855018814, -7.117337684226663e-34, 3.09499502956807e-33], [-1.4233177580526253e-33, 2.8886456855018814, -7.771761883124155e-19], [-8.289152568168886e-33, -7.771761883124578e-19, 2.8886456855018814]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.15220597e-10 -1.15220597e-10 -1.15220597e-10 -1.06942887e-27
  1.53872381e-35 -1.78549828e-51]
energy per atom =  -4.17865819672868
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0