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_KimJungLee_2009_FeTiC__SM_531038274471_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 10:51:58       -3.105396         2.632117
BFGS:    1 10:51:58       -3.262703         1.080480
BFGS:    2 10:51:58       -3.303117         0.287856
BFGS:    3 10:51:59       -3.306500         0.056879
BFGS:    4 10:51:59       -3.306632         0.033951
BFGS:    5 10:51:59       -3.306653         0.025673
BFGS:    6 10:51:59       -3.306669         0.006238
BFGS:    7 10:52:00       -3.306670         0.001127
BFGS:    8 10:52:00       -3.306670         0.000080
BFGS:    9 10:52:00       -3.306670         0.000006
BFGS:   10 10:52:00       -3.306670         0.000000
BFGS:   11 10:52:00       -3.306670         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.981398781097005e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.394452931751692, -9.928189236781975e-36, -1.0419479862294995e-35], [-3.5878826586948175e-35, 2.394452931751692, 5.577700500888557e-18], [-5.179807979406815e-33, 5.632612618948973e-18, 2.3944529317949512]])
forces =  [[0. 0. 0.]]
stress =  [-8.98139878e-11 -8.98139878e-11 -6.34575889e-11 -8.64848747e-27
 -5.70155644e-44 -2.21044954e-59]
energy per atom =  -3.3066700106914264
===============================================
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.