element(s):
['Ti']
AFLOW prototype label:
A_hP3_191_ad
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7179', '0.60942368']
model name:
MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti', 'Ti']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
spacegroup =  191
cell =  [[4.7179, 0, 0], [-2.35895, 4.0858212525146, 0], [0, 0, 2.8752]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 21:30:24      -14.179547         0.457160
BFGS:    1 21:30:24      -14.186099         0.402478
BFGS:    2 21:30:24      -14.204961         0.049691
BFGS:    3 21:30:24      -14.205085         0.039723
BFGS:    4 21:30:24      -14.205131         0.039419
BFGS:    5 21:30:24      -14.205301         0.018663
BFGS:    6 21:30:24      -14.205324         0.005176
BFGS:    7 21:30:24      -14.205327         0.000576
BFGS:    8 21:30:24      -14.205327         0.000035
BFGS:    9 21:30:24      -14.205327         0.000002
BFGS:   10 21:30:24      -14.205327         0.000000
BFGS:   11 21:30:24      -14.205327         0.000000
Minimization converged after 11 steps.
Maximum force component: 8.475781422808404e-32 eV/Angstrom
Maximum stress component: 9.141322081892129e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]
 [0.66666667 0.33333333 0.5       ]]
cellpar =  Cell([[4.665240981124657, 2.1459465396909373e-17, -4.156846607194313e-37], [-2.3326204905623285, 4.04021720443019, -3.026347462240492e-37], [-4.087784327368898e-36, -1.2712856239669772e-35, 2.8221724263863064]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.75035347e-32 -3.31996813e-32 -9.28965186e-70]
 [-8.47578142e-32  4.72057968e-32  1.58773222e-69]]
stress =  [-9.14132208e-12 -9.14132208e-12 -2.47770945e-12  1.80169366e-34
  7.80156241e-35 -3.55614162e-27]
energy per atom =  -4.735108956917922
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0