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_ZhouJohnsonWadley_2004NISTretabulation_Ti__MO_101966451181_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 11:21:03      -14.378613         0.392078
BFGS:    1 11:21:03      -14.381226         0.345015
BFGS:    2 11:21:03      -14.388495         0.074314
BFGS:    3 11:21:03      -14.388653         0.059740
BFGS:    4 11:21:03      -14.389142         0.033991
BFGS:    5 11:21:03      -14.389222         0.011659
BFGS:    6 11:21:03      -14.389230         0.001146
BFGS:    7 11:21:03      -14.389230         0.000111
BFGS:    8 11:21:03      -14.389230         0.000003
BFGS:    9 11:21:03      -14.389230         0.000000
BFGS:   10 11:21:03      -14.389230         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.5478228074997153e-31 eV/Angstrom
Maximum stress component: 2.1759946820110476e-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([[4.709036426337497, -2.7130161825154913e-18, -1.4145870187463594e-36], [-2.3545182131687485, 4.078145172554561, 7.029856353689619e-37], [-1.877297505575665e-37, 9.94358730648523e-37, 2.8286680547162226]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.54782281e-31  6.70226936e-32  1.81593884e-34]
 [ 1.54782281e-31 -3.35113468e-32 -4.64609507e-68]]
stress =  [-2.17599468e-11 -2.17599468e-11 -1.90243748e-11 -1.78083852e-34
 -6.03356535e-48  2.82887919e-27]
energy per atom =  -4.796410010141348
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0