element(s):
['Fe']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9647']
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 =  229
cell =  [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:55:20       -8.456600        1.1286
BFGS:    1 17:55:20       -8.505880        0.9049
BFGS:    2 17:55:20       -8.580292        0.0415
BFGS:    3 17:55:20       -8.580416        0.0072
BFGS:    4 17:55:20       -8.580419        0.0000
BFGS:    5 17:55:20       -8.580419        0.0000
BFGS:    6 17:55:20       -8.580419        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.844699436585033e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.863645776725312, 1.3473686491984284e-33, 4.334014138726704e-33], [1.464682782975901e-33, 2.863645776725312, 1.5472387390992299e-18], [-3.6568201951961594e-33, 1.5472387390991989e-18, 2.8636457767253116]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.84469944e-14 -2.84469944e-14 -2.84469944e-14  3.93713154e-30
 -2.50513201e-34  2.06133111e-50]
energy per atom =  -4.2902096838583095
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0