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_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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 15:48:36      -14.378642         0.392219
BFGS:    1 15:48:36      -14.381258         0.345141
BFGS:    2 15:48:36      -14.388534         0.074306
BFGS:    3 15:48:37      -14.388692         0.059730
BFGS:    4 15:48:37      -14.389181         0.034012
BFGS:    5 15:48:37      -14.389261         0.011671
BFGS:    6 15:48:37      -14.389269         0.001148
BFGS:    7 15:48:37      -14.389269         0.000111
BFGS:    8 15:48:37      -14.389269         0.000003
BFGS:    9 15:48:37      -14.389269         0.000000
BFGS:   10 15:48:37      -14.389269         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.9021532944380565e-32 eV/Angstrom
Maximum stress component: 2.1844827986733365e-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([[4.709012948030382, 1.740150609394084e-18, -1.0229496565129078e-36], [-2.354506474015191, 4.078124839744158, 9.119675356839274e-37], [-1.5041194348305304e-36, -3.323732282701249e-36, 2.828651397832808]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.90215329e-32  1.67555899e-32  4.53982036e-35]
 [ 2.90215329e-32 -1.67555899e-32 -7.94989858e-69]]
stress =  [-2.18448280e-11 -2.18448280e-11 -1.91026785e-11  2.22607236e-35
 -1.15670113e-34  7.25835749e-27]
energy per atom =  -4.796423076707524
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0