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_MuellerErhartAlbe_2007_Fe__MO_137964310702_004
==== 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 16:43:54       -2.887671         1.762628
BFGS:    1 16:43:54       -2.995690         1.830035
BFGS:    2 16:43:54       -3.128646         0.233996
BFGS:    3 16:43:54       -3.130684         0.096318
BFGS:    4 16:43:54       -3.131203         0.054955
BFGS:    5 16:43:54       -3.131253         0.030509
BFGS:    6 16:43:54       -3.131275         0.003579
BFGS:    7 16:43:54       -3.131276         0.000736
BFGS:    8 16:43:54       -3.131276         0.000036
BFGS:    9 16:43:54       -3.131276         0.000002
BFGS:   10 16:43:54       -3.131276         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.40876280408508e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.4173257229322354, 1.0330467163537538e-34, -4.2044726767549634e-32], [5.212531506069742e-35, 2.4173257229322367, 1.784225724695938e-18], [-3.817961354346378e-33, 1.794459531839082e-18, 2.417325722904007]])
forces =  [[0. 0. 0.]]
stress =  [-6.21110635e-10 -6.21110635e-10 -6.40876280e-10 -8.82811968e-26
  5.22978381e-46  2.28340533e-61]
energy per atom =  -3.1312755368870233
===============================================
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.