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_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 11:31:15       -8.709546         0.393010
BFGS:    1 11:31:15       -8.715144         0.270958
BFGS:    2 11:31:15       -8.719984         0.015767
BFGS:    3 11:31:15       -8.720000         0.000581
BFGS:    4 11:31:15       -8.720000         0.000001
BFGS:    5 11:31:15       -8.720000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.662978788880944e-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, 7.817205955760348e-33, 5.733623444590723e-35], [1.8963400337108135e-32, 2.97912737840238, -2.2111050229733104e-19], [9.828348636694484e-33, -2.2111050229734977e-19, 2.97912737840238]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.66297879e-12 -6.66297879e-12 -6.66297879e-12  6.57616434e-28
  2.41843707e-59  8.80439911e-60]
energy per atom =  -4.360000000539953
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0