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 10:51:50       -2.944237         4.098795
BFGS:    1 10:51:50       -3.192905         0.820997
BFGS:    2 10:51:50       -3.210669         0.329484
BFGS:    3 10:51:50       -3.214443         0.061812
BFGS:    4 10:51:50       -3.214570         0.015751
BFGS:    5 10:51:50       -3.214576         0.012067
BFGS:    6 10:51:51       -3.214579         0.003879
BFGS:    7 10:51:51       -3.214579         0.000511
BFGS:    8 10:51:51       -3.214579         0.000055
BFGS:    9 10:51:51       -3.214579         0.000003
BFGS:   10 10:51:51       -3.214579         0.000000
BFGS:   11 10:51:51       -3.214579         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.535059583606394e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.3886215165843976, -6.760453945079298e-36, -1.615354141701425e-34], [-2.9126019679272084e-34, 2.388621516584397, -8.25614486908375e-21], [-2.0652901869559985e-32, -8.281063522914992e-21, 2.3886215165804603]])
forces =  [[0. 0. 0.]]
stress =  [-6.20436213e-11 -6.20436213e-11 -6.53505958e-11  5.77682456e-27
  2.85933208e-44 -3.74669814e-60]
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.