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:
Sim_LAMMPS_MEAM_HennigLenoskyTrinkle_2008_Ti__SM_318953488749_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 10:18:49      -14.429715         0.764246
BFGS:    1 10:18:49      -14.451390         0.644944
BFGS:    2 10:18:49      -14.506567         0.127893
BFGS:    3 10:18:49      -14.508029         0.059739
BFGS:    4 10:18:49      -14.508100         0.037058
BFGS:    5 10:18:49      -14.508143         0.025434
BFGS:    6 10:18:49      -14.508238         0.017072
BFGS:    7 10:18:49      -14.508265         0.006974
BFGS:    8 10:18:49      -14.508270         0.001592
BFGS:    9 10:18:49      -14.508270         0.000172
BFGS:   10 10:18:49      -14.508270         0.000005
BFGS:   11 10:18:49      -14.508270         0.000000
BFGS:   12 10:18:49      -14.508270         0.000000
Minimization converged after 12 steps.
Maximum force component: 6.623921200604913e-32 eV/Angstrom
Maximum stress component: 1.420408633151136e-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([[4.606254273359348, -1.1476602042860927e-17, 1.7990892814419633e-37], [-2.303127136679674, 3.989133217019824, -5.120449290823237e-37], [3.7878800408859995e-37, 4.0964086584932845e-36, 2.8149269518775073]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.83882337e-32 -1.63899544e-32  2.84299659e-69]
 [-6.62392120e-32  4.91698631e-32 -7.78980687e-69]]
stress =  [-7.54505572e-11 -7.54505572e-11 -1.42040863e-10  9.14731310e-34
  3.16872221e-34 -5.24644956e-27]
energy per atom =  -4.8360901198081985
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0