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_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== 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 17:45:26       -2.944237         4.098795
BFGS:    1 17:45:26       -3.192905         0.820997
BFGS:    2 17:45:26       -3.210669         0.329484
BFGS:    3 17:45:26       -3.214443         0.061812
BFGS:    4 17:45:26       -3.214570         0.015751
BFGS:    5 17:45:26       -3.214576         0.012067
BFGS:    6 17:45:26       -3.214579         0.003879
BFGS:    7 17:45:26       -3.214579         0.000511
BFGS:    8 17:45:26       -3.214579         0.000055
BFGS:    9 17:45:26       -3.214579         0.000003
BFGS:   10 17:45:26       -3.214579         0.000000
BFGS:   11 17:45:26       -3.214579         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.535068430137475e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.3886215165843967, 1.168861134404143e-35, 5.069577209714065e-36], [-2.8115592459847994e-34, 2.3886215165843967, -4.362147969680136e-20], [6.462799080321136e-33, -4.378157222909365e-20, 2.3886215165804603]])
forces =  [[0. 0. 0.]]
stress =  [-6.20443004e-11 -6.20443004e-11 -6.53506843e-11  2.79011447e-27
 -3.37555980e-35  4.38972417e-51]
energy per atom =  -3.214579419354458
===============================================
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.