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 09:51:40       -2.887671         1.762628
BFGS:    1 09:51:40       -2.995690         1.830035
BFGS:    2 09:51:40       -3.128646         0.233996
BFGS:    3 09:51:40       -3.130684         0.096318
BFGS:    4 09:51:40       -3.131203         0.054955
BFGS:    5 09:51:40       -3.131253         0.030509
BFGS:    6 09:51:40       -3.131275         0.003579
BFGS:    7 09:51:40       -3.131276         0.000736
BFGS:    8 09:51:40       -3.131276         0.000036
BFGS:    9 09:51:40       -3.131276         0.000002
BFGS:   10 09:51:40       -3.131276         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.408770403845021e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.4173257229322362, 1.0454200322712658e-34, -1.2527723723419608e-33], [5.2950737393501e-35, 2.4173257229322367, 1.7258681527409032e-18], [-1.082883323990813e-32, 1.736105837125366e-18, 2.417325722904006]])
forces =  [[0. 0. 0.]]
stress =  [-6.21110407e-10 -6.21110407e-10 -6.40877040e-10 -3.26951342e-25
  1.19243277e-43  5.23891900e-59]
energy per atom =  -3.131275536887023
===============================================
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.