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_2004_Ti__MO_723456820410_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 09:40:54      -14.378612        0.3921
BFGS:    1 09:40:54      -14.381226        0.3451
BFGS:    2 09:40:54      -14.388495        0.0743
BFGS:    3 09:40:54      -14.388653        0.0595
BFGS:    4 09:40:54      -14.389141        0.0334
BFGS:    5 09:40:54      -14.389221        0.0114
BFGS:    6 09:40:54      -14.389229        0.0013
BFGS:    7 09:40:54      -14.389229        0.0001
BFGS:    8 09:40:54      -14.389229        0.0000
BFGS:    9 09:40:54      -14.389229        0.0000
BFGS:   10 09:40:54      -14.389229        0.0000
Minimization converged after 10 steps.
Maximum force component: 1.9347770137731976e-31 eV/Angstrom
Maximum stress component: 3.2113051485639544e-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([[4.70903278620936, 3.152854462975801e-18, -7.069318486470379e-39], [-2.35451639310468, 4.078142020111122, -2.697634489258101e-36], [2.0288850776791277e-36, -1.0357739923301707e-36, 2.8286516701467073]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.54782161e-31 -6.70226418e-32  4.41602775e-68]
 [-1.93477701e-31  1.34045284e-31 -8.84948272e-68]]
stress =  [-3.21130515e-11 -3.21130515e-11 -2.97963688e-11 -1.89215335e-34
 -1.92782691e-35  7.66709582e-27]
energy per atom =  -4.796409674976634
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0