element(s):
['Ti']
AFLOW prototype label:
A_hP2_194_c
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:
['3.0022', '1.5915662']
model name:
MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0022, 0, 0], [-1.5011, 2.5999814672416, 0], [0, 0, 4.7782]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:22:52       -9.710581         0.577647
BFGS:    1 11:22:52       -9.723432         0.461881
BFGS:    2 11:22:52       -9.744222         0.058321
BFGS:    3 11:22:52       -9.744413         0.008377
BFGS:    4 11:22:52       -9.744416         0.009470
BFGS:    5 11:22:52       -9.744421         0.009878
BFGS:    6 11:22:53       -9.744426         0.006487
BFGS:    7 11:22:53       -9.744428         0.001925
BFGS:    8 11:22:53       -9.744428         0.000354
BFGS:    9 11:22:53       -9.744428         0.000023
BFGS:   10 11:22:53       -9.744428         0.000002
BFGS:   11 11:22:53       -9.744428         0.000000
BFGS:   12 11:22:53       -9.744428         0.000000
Minimization converged after 12 steps.
Maximum force component: 5.74471161709327e-32 eV/Angstrom
Maximum stress component: 3.871147257965601e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.943577113416637, -5.2375056072654576e-18, -1.9265853950579179e-38], [-1.4717885567083184, 2.5492125582172753, -1.1997131570080801e-38], [3.845281275482247e-38, 4.43082880409594e-37, 4.6926882400489145]])
forces =  [[-5.74471162e-32  1.57107354e-32  1.20503851e-33]
 [ 5.74471162e-32 -1.57107354e-32 -1.20503851e-33]]
stress =  [ 3.87114726e-11  3.87114726e-11  1.99458689e-11 -2.57592205e-34
 -1.48720929e-34 -9.50880521e-27]
energy per atom =  -4.872214059519092
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0