element(s):
['Ti']
AFLOW prototype label:
A_hP2_194_c
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:
['3.0022', '1.5915662']
model name:
EAM_Dynamo_MendelevUnderwoodAckland_2016pset2_Ti__MO_938747375043_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0022, 0, 0], [-1.5011, 2.5999814672416, 0], [0, 0, 4.7782]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:12:18      -10.485661         0.151225
BFGS:    1 15:12:18      -10.486482         0.123325
BFGS:    2 15:12:18      -10.488929         0.065519
BFGS:    3 15:12:18      -10.491014         0.075083
BFGS:    4 15:12:18      -10.346924         3.747008
BFGS:    5 15:12:18      -10.491213         0.075586
BFGS:    6 15:12:18      -10.491412         0.075637
BFGS:    7 15:12:18      -10.356253         3.555249
BFGS:    8 15:12:18      -10.491615         0.074769
BFGS:    9 15:12:18      -10.491811         0.073236
BFGS:   10 15:12:18      -10.356652         3.555593
BFGS:   11 15:12:18      -10.491998         0.070756
BFGS:   12 15:12:18      -10.492170         0.067577
BFGS:   13 15:12:18      -10.483712         0.587767
BFGS:   14 15:12:18      -10.492558         0.055352
BFGS:   15 15:12:18      -10.492792         0.043346
BFGS:   16 15:12:18      -10.492907         0.039066
BFGS:   17 15:12:18      -10.492999         0.012080
BFGS:   18 15:12:18      -10.493004         0.005572
BFGS:   19 15:12:18      -10.493005         0.003835
BFGS:   20 15:12:18      -10.493006         0.002391
BFGS:   21 15:12:18      -10.493006         0.002098
BFGS:   22 15:12:18      -10.493007         0.000876
BFGS:   23 15:12:18      -10.493007         0.000211
BFGS:   24 15:12:18      -10.493007         0.000022
BFGS:   25 15:12:18      -10.493007         0.000001
BFGS:   26 15:12:18      -10.493007         0.000000
BFGS:   27 15:12:18      -10.493007         0.000000
Minimization converged after 27 steps.
Maximum force component: 5.451804265697568e-32 eV/Angstrom
Maximum stress component: 3.4212624843331476e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.9486860585550265, 3.8924442881917585e-17, 2.9928009862134193e-37], [-1.4743430292775133, 2.5536370344936645, 1.111112944682302e-34], [-2.0550999334594464e-35, -1.7279012785234674e-34, 4.698304847093506]])
forces =  [[ 3.02878015e-32  1.04920022e-32  3.86073856e-32]
 [ 5.45180427e-32 -3.14760066e-32 -3.86073856e-32]]
stress =  [ 2.28343085e-11  2.28343085e-11  3.42126248e-11 -5.24378584e-34
 -1.85357214e-35  2.53183380e-27]
energy per atom =  -5.246503410915826
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0