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:
Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_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 17:45:29       -3.152118         1.319954
BFGS:    1 17:45:29       -3.169991         0.391452
BFGS:    2 17:45:29       -3.172564         0.045835
BFGS:    3 17:45:29       -3.172588         0.003865
BFGS:    4 17:45:29       -3.172588         0.000852
BFGS:    5 17:45:29       -3.172588         0.000003
BFGS:    6 17:45:29       -3.172588         0.000000
BFGS:    7 17:45:29       -3.172588         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.269572690166466e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.2425329526183893, 5.418138516609983e-35, 2.3101277343105802e-39], [9.118334397402338e-35, 2.242532952618389, 1.4650813278779363e-21], [-5.834528183516441e-33, 1.4647752588534406e-21, 2.2425329525777378]])
forces =  [[0. 0. 0.]]
stress =  [ 1.05746034e-11  1.05746034e-11 -6.26957269e-11  3.13572826e-26
 -1.53187317e-34  7.83590447e-50]
energy per atom =  -3.1725881935486164
===============================================
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.