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_FarkasJones_1996_NbTiAl__MO_042691367780_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 15:19:32      -14.406427         0.301955
BFGS:    1 15:19:32      -14.409605         0.274846
BFGS:    2 15:19:32      -14.422956         0.096417
BFGS:    3 15:19:32      -14.423221         0.106604
BFGS:    4 15:19:32      -14.423875         0.102340
BFGS:    5 15:19:32      -14.424439         0.064902
BFGS:    6 15:19:32      -14.424713         0.016803
BFGS:    7 15:19:32      -14.424746         0.002532
BFGS:    8 15:19:32      -14.424747         0.000214
BFGS:    9 15:19:32      -14.424747         0.000021
BFGS:   10 15:19:32      -14.424747         0.000001
BFGS:   11 15:19:32      -14.424747         0.000000
Minimization converged after 11 steps.
Maximum force component: 5.705270261022363e-32 eV/Angstrom
Maximum stress component: 2.684347096220794e-10 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([[4.62866513334353, -9.267065005676149e-18, -1.277626611402948e-38], [-2.314332566671765, 4.008541591086781, 5.126294075124054e-37], [-4.335812279479311e-37, -1.6836324011375816e-36, 2.8665220618419065]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-5.70527026e-32  3.29393932e-32  4.31741662e-69]
 [ 5.70527026e-32 -3.29393932e-32 -4.31741662e-69]]
stress =  [2.68434710e-10 2.68434710e-10 1.21887267e-10 1.78783538e-34
 2.49058703e-47 1.35052901e-26]
energy per atom =  -4.808249085761432
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0