element(s):
['Ni']
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:
['2.582', '1.5943455']
model name:
MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.582, 0, 0], [-1.291, 2.2360775925714, 0], [0, 0, 4.1166]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:06:22       -8.826871         1.029193
BFGS:    1 15:06:22       -8.862492         0.826843
BFGS:    2 15:06:22       -8.914424         0.173710
BFGS:    3 15:06:22       -8.914874         0.106886
BFGS:    4 15:06:22       -8.915245         0.065261
BFGS:    5 15:06:22       -8.915840         0.033881
BFGS:    6 15:06:22       -8.915910         0.009280
BFGS:    7 15:06:22       -8.915916         0.001545
BFGS:    8 15:06:22       -8.915916         0.000090
BFGS:    9 15:06:22       -8.915916         0.000002
BFGS:   10 15:06:22       -8.915916         0.000000
BFGS:   11 15:06:22       -8.915916         0.000000
Minimization converged after 11 steps.
Maximum force component: 5.1211382988198496e-33 eV/Angstrom
Maximum stress component: 3.630223858761753e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.4928565907266904, 1.6001038555491595e-17, 4.4458352707573914e-39], [-1.2464282953633452, 2.1588771355607808, 1.022372510598765e-36], [-9.450751970584954e-38, -1.3940503059514965e-36, 4.052533578918463]])
forces =  [[-5.12113830e-33 -3.28713379e-50 -9.13319176e-72]
 [-5.12113830e-33 -3.28713379e-50 -9.13319176e-72]]
stress =  [-1.38688296e-11 -1.38688296e-11 -3.63022386e-11  5.87022394e-34
  1.01675261e-34 -5.08875164e-27]
energy per atom =  -4.457958199683412
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0