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:
MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_002
==== 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 09:49:47       -9.673538        0.8471
BFGS:    1 09:49:47       -9.698666        0.6651
BFGS:    2 09:49:47       -9.733363        0.1351
BFGS:    3 09:49:47       -9.734032        0.0361
BFGS:    4 09:49:47       -9.734071        0.0375
BFGS:    5 09:49:47       -9.734211        0.0216
BFGS:    6 09:49:47       -9.734230        0.0069
BFGS:    7 09:49:47       -9.734233        0.0006
BFGS:    8 09:49:47       -9.734233        0.0000
BFGS:    9 09:49:47       -9.734233        0.0000
BFGS:   10 09:49:47       -9.734233        0.0000
BFGS:   11 09:49:47       -9.734233        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.060553322801494e-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([[2.9219606362890516, 3.714640463154416e-17, 2.8571749607097412e-36], [-1.4609803181445258, 2.530492139884461, -2.7614948166506517e-36], [4.843502428845522e-37, 7.587718895345265e-35, 4.693398936372896]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.06055332e-11  1.06055332e-11  5.34094201e-12  4.32430935e-35
  7.48992350e-35 -3.90491310e-29]
energy per atom =  -4.867116465270909
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0