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_MendelevUnderwoodAckland_2016pset2_Ti__MO_938747375043_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 09:40:54      -15.658254        0.4598
BFGS:    1 09:40:54      -15.664222        0.4425
BFGS:    2 09:40:54      -15.706533        0.3461
BFGS:    3 09:40:54      -15.680918        1.2612
BFGS:    4 09:40:54      -15.713104        0.2224
BFGS:    5 09:40:54      -15.715314        0.1215
BFGS:    6 09:40:54      -15.716383        0.1849
BFGS:    7 09:40:54      -15.716735        0.1535
BFGS:    8 09:40:54      -15.718360        0.0477
BFGS:    9 09:40:54      -15.719018        0.0456
BFGS:   10 09:40:54      -15.719126        0.0191
BFGS:   11 09:40:54      -15.719143        0.0024
BFGS:   12 09:40:54      -15.719143        0.0001
BFGS:   13 09:40:54      -15.719143        0.0000
BFGS:   14 09:40:54      -15.719143        0.0000
BFGS:   15 09:40:54      -15.719143        0.0000
Minimization converged after 15 steps.
Maximum force component: 1.5012147447018059e-31 eV/Angstrom
Maximum stress component: 7.152079482034851e-12 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([[4.56723785326251, 3.965243940382868e-17, -1.1185615133121577e-37], [-2.283618926631255, 3.9553440060512366, 3.558285249998015e-37], [-2.0123197368711954e-37, -3.359199897353048e-36, 2.9083442921411535]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.50121474e-31 -6.50045053e-32 -8.60536728e-69]
 [-7.50607372e-32  6.50045053e-32  2.98734259e-33]]
stress =  [-4.46843207e-12 -4.46843207e-12 -7.15207948e-12  3.57165191e-34
  1.48379210e-48 -3.56566582e-28]
energy per atom =  -5.239714401858859
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0