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_2016pot1_Ti__MO_143373446649_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 10:19:06      -16.015926         0.141741
BFGS:    1 10:19:06      -16.016292         0.139718
BFGS:    2 10:19:06      -16.018768         0.145585
BFGS:    3 10:19:06      -16.019785         0.076341
BFGS:    4 10:19:06      -16.020162         0.043122
BFGS:    5 10:19:06      -16.020274         0.045032
BFGS:    6 10:19:06      -16.020388         0.043886
BFGS:    7 10:19:06      -16.020613         0.021901
BFGS:    8 10:19:06      -16.020659         0.005560
BFGS:    9 10:19:06      -16.020664         0.000971
BFGS:   10 10:19:06      -16.020664         0.000058
BFGS:   11 10:19:06      -16.020664         0.000004
BFGS:   12 10:19:06      -16.020664         0.000000
BFGS:   13 10:19:06      -16.020664         0.000000
Minimization converged after 13 steps.
Maximum force component: 2.7191475199996e-31 eV/Angstrom
Maximum stress component: 9.474299476125725e-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([[4.7272168948616144, -1.1990482059106489e-17, 1.61490895678039e-39], [-2.3636084474308072, 4.093889920149151, -2.154657840021438e-37], [4.4019356572825e-37, -6.239952239477416e-37, 2.9232912539974283]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.71914752e-31  1.34562905e-31 -7.50673888e-33]
 [ 2.52492270e-31 -1.00922178e-31  5.37799263e-69]]
stress =  [-3.66090431e-11 -3.66090431e-11 -9.47429948e-11  3.43313560e-34
  8.46773943e-48 -2.40601185e-27]
energy per atom =  -5.340221240247968
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0