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 17:30:21       -3.152118        1.3200
BFGS:    1 17:30:21       -3.169991        0.3915
BFGS:    2 17:30:21       -3.172564        0.0458
BFGS:    3 17:30:21       -3.172588        0.0039
BFGS:    4 17:30:21       -3.172588        0.0009
BFGS:    5 17:30:21       -3.172588        0.0000
BFGS:    6 17:30:21       -3.172588        0.0000
BFGS:    7 17:30:21       -3.172588        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.269463416208048e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.2425329526183893, 4.303160822471686e-35, 3.435273266607249e-34], [-4.8959453562642004e-36, 2.2425329526183893, 1.2028211334267753e-20], [6.85849922472262e-34, 1.2013790448026714e-20, 2.242532952577738]])
forces =  [[0. 0. 0.]]
stress =  [ 1.05753270e-11  1.05753270e-11 -6.26946342e-11  5.64287322e-27
 -3.06374634e-34  4.00731525e-50]
energy per atom =  -3.1725881935486173
===============================================
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.