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:
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002
==== 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 12:33:53       -9.589526         0.394127
BFGS:    1 12:33:53       -9.595150         0.271156
BFGS:    2 12:33:53       -9.599986         0.014979
BFGS:    3 12:33:53       -9.600000         0.000525
BFGS:    4 12:33:54       -9.600000         0.000001
BFGS:    5 12:33:54       -9.600000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.694871553362674e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.979127380307974, -2.8120941378976135e-33, -2.9605259119619346e-35], [-3.0018145786760332e-33, 2.979127380307974, -4.095067217019491e-21], [-1.171410191142681e-33, -4.095067217016946e-21, 2.979127380307974]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.69487155e-12 -4.69487155e-12 -4.69487155e-12 -7.46333676e-28
 -1.15734028e-34 -1.67264592e-50]
energy per atom =  -4.800000000468769
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0