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_002
==== 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 15:14:30       -9.710581         0.577647
BFGS:    1 15:14:30       -9.723432         0.461881
BFGS:    2 15:14:30       -9.744222         0.058321
BFGS:    3 15:14:30       -9.744413         0.008377
BFGS:    4 15:14:30       -9.744416         0.009470
BFGS:    5 15:14:30       -9.744421         0.009878
BFGS:    6 15:14:30       -9.744426         0.006487
BFGS:    7 15:14:30       -9.744428         0.001925
BFGS:    8 15:14:31       -9.744428         0.000354
BFGS:    9 15:14:31       -9.744428         0.000023
BFGS:   10 15:14:31       -9.744428         0.000002
BFGS:   11 15:14:31       -9.744428         0.000000
BFGS:   12 15:14:31       -9.744428         0.000000
Minimization converged after 12 steps.
Maximum force component: 5.236911787177218e-33 eV/Angstrom
Maximum stress component: 3.8711799296559054e-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, 1.1656662151230873e-17, -8.036526808911379e-38], [-1.4717885567083184, 2.549212558217276, -2.7853967929588877e-37], [1.5161179757904177e-35, 2.8193699392914172e-36, 4.6926882400489145]])
forces =  [[ 3.02353243e-33 -5.23691179e-33  5.72211103e-70]
 [-3.02353243e-33  5.23691179e-33 -5.72211103e-70]]
stress =  [3.87117993e-11 3.87117993e-11 1.99460330e-11 2.73691718e-34
 1.76606103e-34 2.48754514e-27]
energy per atom =  -4.8722140595190915
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0