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:
MEAM_LAMMPS_ZhangTrinkle_2016_TiO__MO_612732924171_002
==== 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 15:22:19      -14.429715         0.764246
BFGS:    1 15:22:19      -14.451390         0.644944
BFGS:    2 15:22:19      -14.506567         0.127893
BFGS:    3 15:22:19      -14.508029         0.059739
BFGS:    4 15:22:19      -14.508100         0.037058
BFGS:    5 15:22:19      -14.508143         0.025434
BFGS:    6 15:22:19      -14.508238         0.017072
BFGS:    7 15:22:19      -14.508265         0.006974
BFGS:    8 15:22:19      -14.508270         0.001592
BFGS:    9 15:22:19      -14.508270         0.000172
BFGS:   10 15:22:19      -14.508270         0.000005
BFGS:   11 15:22:19      -14.508270         0.000000
BFGS:   12 15:22:19      -14.508270         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.1355293486301255e-31 eV/Angstrom
Maximum stress component: 1.4204012869446202e-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([[4.606254273176797, -4.211488615919316e-18, 7.685009887422341e-38], [-2.3031271365883983, 3.9891332168617315, 8.243442778126851e-38], [-7.593543494247467e-37, -1.9675239136010136e-36, 2.814926951753483]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.13552935e-31 -6.55598175e-32 -9.17762241e-71]
 [-1.13552935e-31  6.55598175e-32  9.17762241e-71]]
stress =  [-7.54493364e-11 -7.54493364e-11 -1.42040129e-10  2.88396231e-47
  8.78449939e-48  4.42974677e-26]
energy per atom =  -4.836090119482772
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0