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 19:38:06      -14.284254         0.722049
BFGS:    1 19:38:06      -14.297603         0.626558
BFGS:    2 19:38:06      -14.330049         0.128944
BFGS:    3 19:38:06      -14.330503         0.064652
BFGS:    4 19:38:06      -14.330683         0.056539
BFGS:    5 19:38:06      -14.331321         0.029065
BFGS:    6 19:38:06      -14.331397         0.008619
BFGS:    7 19:38:06      -14.331405         0.000982
BFGS:    8 19:38:06      -14.331405         0.000056
BFGS:    9 19:38:06      -14.331405         0.000001
BFGS:   10 19:38:06      -14.331405         0.000000
BFGS:   11 19:38:06      -14.331405         0.000000
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