element(s):
['Fe']
AFLOW prototype label:
A_tP1_123_a
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:
['2.2256', '1.0359004']
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 =  123
cell =  [[2.2256, 0, 0], [0, 2.2256, 0], [0, 0, 2.3055]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:51:39       -2.681673         2.313774
BFGS:    1 09:51:39       -2.864217         2.217645
BFGS:    2 09:51:39       -3.021269         0.424106
BFGS:    3 09:51:39       -3.028830         0.163156
BFGS:    4 09:51:39       -3.030150         0.019503
BFGS:    5 09:51:39       -3.030165         0.019486
BFGS:    6 09:51:39       -3.030170         0.015163
BFGS:    7 09:51:39       -3.030175         0.004437
BFGS:    8 09:51:39       -3.030175         0.000858
BFGS:    9 09:51:39       -3.030175         0.000091
BFGS:   10 09:51:39       -3.030175         0.000009
BFGS:   11 09:51:39       -3.030175         0.000000
BFGS:   12 09:51:39       -3.030175         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.925797798825276e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.4528512867015744, -1.2837039861378276e-33, 6.2763541825918195e-34], [-1.1734912477828486e-33, 2.4528512867015753, 3.091301245649017e-20], [-1.0293310735995794e-33, 3.108004338034875e-20, 2.4528512867645453]])
forces =  [[0. 0. 0.]]
stress =  [-1.92579780e-10 -1.92579780e-10 -1.49722238e-10  6.19193158e-27
 -1.81014832e-44  7.75186152e-60]
energy per atom =  -3.030175440404027
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tP1_123_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.