element(s):
['Fe', 'Ti']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0053']
model name:
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.0053, 0, 0], [0, 3.0053, 0], [0, 0, 3.0053]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:33:29       -9.589526         0.394127
BFGS:    1 12:33:29       -9.595150         0.271156
BFGS:    2 12:33:29       -9.599986         0.014979
BFGS:    3 12:33:29       -9.600000         0.000525
BFGS:    4 12:33:29       -9.600000         0.000001
BFGS:    5 12:33:29       -9.600000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.69448459052168e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9791273803079874, -6.367962393830504e-40, -1.9198436005792684e-32], [-4.928585420337904e-34, 2.9791273803079874, -3.750942485209217e-18], [-1.9581982950177798e-32, -3.7509424852092e-18, 2.9791273803079874]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.69448459e-12 -4.69448459e-12 -4.69448459e-12  3.27698711e-29
  4.62936111e-34 -5.42882045e-50]
energy per atom =  -4.800000000468768
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0