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_2016pot3_Ti__MO_819959112190_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 15:19:30      -16.099110         0.332821
BFGS:    1 15:19:30      -16.102334         0.344452
BFGS:    2 15:19:30      -16.141155         0.338124
BFGS:    3 15:19:30      -16.143228         0.567821
BFGS:    4 15:19:30      -16.152051         0.124411
BFGS:    5 15:19:30      -16.153302         0.149074
BFGS:    6 15:19:30      -16.154133         0.185157
BFGS:    7 15:19:30      -16.155041         0.175941
BFGS:    8 15:19:30      -16.156476         0.088487
BFGS:    9 15:19:30      -16.156836         0.027546
BFGS:   10 15:19:30      -16.156881         0.003490
BFGS:   11 15:19:30      -16.156882         0.000121
BFGS:   12 15:19:30      -16.156882         0.000015
BFGS:   13 15:19:31      -16.156882         0.000001
BFGS:   14 15:19:31      -16.156882         0.000000
Minimization converged after 14 steps.
Maximum force component: 7.493340940038097e-32 eV/Angstrom
Maximum stress component: 3.7715018614818054e-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([[4.559490307369948, -2.0837501823668097e-17, -4.1244464798921266e-38], [-2.279745153684974, 3.948634434491294, 2.790085519813386e-37], [1.0697039574735344e-37, -1.0156670155662128e-36, 2.908294610976285]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-7.49334094e-32  6.48942361e-32  4.92431275e-69]
 [ 5.62000571e-32 -3.24471181e-32 -2.63161547e-69]]
stress =  [3.77150186e-10 3.77150186e-10 1.63908456e-10 5.36667304e-34
 3.09845012e-34 8.73788404e-26]
energy per atom =  -5.385627484495219
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0