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 17:45:29       -3.105396         2.632117
BFGS:    1 17:45:29       -3.262703         1.080480
BFGS:    2 17:45:29       -3.303117         0.287856
BFGS:    3 17:45:29       -3.306500         0.056879
BFGS:    4 17:45:29       -3.306632         0.033951
BFGS:    5 17:45:29       -3.306653         0.025673
BFGS:    6 17:45:29       -3.306669         0.006238
BFGS:    7 17:45:29       -3.306670         0.001127
BFGS:    8 17:45:29       -3.306670         0.000080
BFGS:    9 17:45:29       -3.306670         0.000006
BFGS:   10 17:45:29       -3.306670         0.000000
BFGS:   11 17:45:29       -3.306670         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.981355654260936e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.394452931751692, 3.318534055921375e-34, -1.0295660326264031e-32], [3.084312883876501e-34, 2.3944529317516934, 1.4676211246860117e-18], [1.0442993764939233e-32, 1.4864307622884365e-18, 2.394452931794951]])
forces =  [[0. 0. 0.]]
stress =  [-8.98135565e-11 -8.98135565e-11 -6.34577039e-11 -4.15267553e-27
  3.35913825e-35  2.00278503e-51]
energy per atom =  -3.306670010691427
===============================================
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.