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:
EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005
==== 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 14:19:54      -14.212901         0.649578
BFGS:    1 14:19:54      -14.225677         0.584824
BFGS:    2 14:19:54      -14.265732         0.143404
BFGS:    3 14:19:54      -14.267317         0.130684
BFGS:    4 14:19:54      -14.267565         0.110708
BFGS:    5 14:19:54      -14.268237         0.042808
BFGS:    6 14:19:54      -14.268537         0.026361
BFGS:    7 14:19:54      -14.268611         0.006030
BFGS:    8 14:19:54      -14.268615         0.000935
BFGS:    9 14:19:54      -14.268615         0.000063
BFGS:   10 14:19:54      -14.268615         0.000001
BFGS:   11 14:19:54      -14.268615         0.000000
BFGS:   12 14:19:54      -14.268615         0.000000
Minimization converged after 12 steps.
Maximum force component: 4.9087668045551215e-32 eV/Angstrom
Maximum stress component: 1.5162985167132786e-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([[4.598554201468997, 1.1926902720706386e-17, 4.005932712412123e-36], [-2.2992771007344985, 3.9824647591518127, 4.6610210137891645e-37], [8.850381180105423e-38, -1.7252678831139202e-35, 2.8651718622313385]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.83407784e-32  4.90876680e-32  5.74515196e-69]
 [ 9.44692612e-33 -1.63625560e-32 -1.91505065e-69]]
stress =  [-7.42720588e-12 -7.42720588e-12 -1.51629852e-11 -5.40116998e-34
 -3.11836694e-34  1.22669327e-27]
energy per atom =  -4.756204871504882
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0