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:
Sim_LAMMPS_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_000
==== 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 10:18:49      -14.367139         0.676113
BFGS:    1 10:18:49      -14.382043         0.579642
BFGS:    2 10:18:49      -14.418099         0.034091
BFGS:    3 10:18:49      -14.418124         0.029809
BFGS:    4 10:18:49      -14.418291         0.016811
BFGS:    5 10:18:49      -14.418364         0.015209
BFGS:    6 10:18:49      -14.418170         0.051779
BFGS:    7 10:18:49      -14.418395         0.007053
BFGS:    8 10:18:49      -14.418400         0.002573
BFGS:    9 10:18:49      -14.418401         0.000230
BFGS:   10 10:18:49      -14.418401         0.000126
BFGS:   11 10:18:49      -14.418401         0.000015
BFGS:   12 10:18:49      -14.418401         0.000001
BFGS:   13 10:18:49      -14.418401         0.000000
BFGS:   14 10:18:49      -14.418401         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.066288021390547e-33 eV/Angstrom
Maximum stress component: 3.167664282456229e-11 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([[4.645698363210821, 2.1366884462894968e-18, -3.7169367170213896e-37], [-2.3228491816054104, 4.0232928008603555, -3.310607183723084e-38], [1.5768639822085966e-36, 4.504598746179423e-36, 2.802841145973239]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.19297195e-33 -2.06628802e-33 -1.43948685e-33]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-3.16766428e-11 -3.16766428e-11  3.77681366e-12 -2.73262693e-34
  1.57768289e-34  1.32706007e-27]
energy per atom =  -4.8061335619122705
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0