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_KavousiNovakBaskes_2019_NiTi__MO_050461957184_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 09:41:07      -14.284254        0.7220
BFGS:    1 09:41:07      -14.297603        0.6266
BFGS:    2 09:41:07      -14.330049        0.1289
BFGS:    3 09:41:07      -14.330503        0.0647
BFGS:    4 09:41:07      -14.330683        0.0565
BFGS:    5 09:41:07      -14.331321        0.0291
BFGS:    6 09:41:07      -14.331397        0.0086
BFGS:    7 09:41:07      -14.331405        0.0010
BFGS:    8 09:41:07      -14.331405        0.0001
BFGS:    9 09:41:07      -14.331405        0.0000
BFGS:   10 09:41:07      -14.331405        0.0000
BFGS:   11 09:41:07      -14.331405        0.0000
Minimization converged after 11 steps.
Maximum force component: 5.988614198388724e-33 eV/Angstrom
Maximum stress component: 9.862164304220855e-12 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([[4.664199403390626, -1.195656684510993e-17, 3.437769047150416e-37], [-2.332099701695313, 4.039315171652503, 1.9746347171814574e-37], [-1.7502676489533826e-36, 1.2846569950336143e-36, 2.798191491294874]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.98861420e-33 -2.07451681e-33  2.51701242e-70]
 [-5.98861420e-33  2.07451681e-33 -2.51701242e-70]]
stress =  [ 2.84749220e-12  2.84749220e-12  9.86216430e-12  9.08770124e-34
  3.14807205e-34 -4.79639160e-28]
energy per atom =  -4.777135118977618
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0