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_SaLee_2008_FeTi__MO_260546967793_001
==== 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 12:36:55       -8.709546         0.393010
BFGS:    1 12:36:55       -8.715144         0.270958
BFGS:    2 12:36:55       -8.719984         0.015767
BFGS:    3 12:36:55       -8.720000         0.000581
BFGS:    4 12:36:56       -8.720000         0.000001
BFGS:    5 12:36:56       -8.720000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.66314674777371e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.97912737840238, -1.4484326382830482e-32, -4.110363963068188e-34], [-1.7182376264043627e-32, 2.97912737840238, -2.2899273488420216e-19], [-9.435737621407423e-33, -2.2899273488419455e-19, 2.97912737840238]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.66314675e-12 -6.66314675e-12 -6.66314675e-12 -1.83128580e-28
  5.13931336e-60  3.88872584e-60]
energy per atom =  -4.360000000539952
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0