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 15:56:36       -8.456600         1.128650
BFGS:    1 15:56:36       -8.505880         0.904931
BFGS:    2 15:56:36       -8.580292         0.041484
BFGS:    3 15:56:36       -8.580416         0.007227
BFGS:    4 15:56:36       -8.580419         0.000046
BFGS:    5 15:56:36       -8.580419         0.000000
BFGS:    6 15:56:36       -8.580419         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.6929029410351764e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.863645776725313, -1.0043426968425608e-32, 3.824253795120609e-33], [-1.1813858435571185e-32, 2.863645776725313, 4.539022950372897e-19], [-1.2700413713316753e-33, 4.539022950372406e-19, 2.863645776725313]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.69290294e-14 -2.69290294e-14 -2.69290294e-14  2.48119903e-30
 -2.50513201e-34  1.87976731e-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