element(s):
['Ni']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7844']
model name:
MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.7844, 0, 0], [0, 2.7844, 0], [0, 0, 2.7844]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:07:20       -8.721556         0.137789
BFGS:    1 16:07:20       -8.722256         0.099287
BFGS:    2 16:07:20       -8.723023         0.002019
BFGS:    3 16:07:20       -8.723024         0.000031
BFGS:    4 16:07:20       -8.723024         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.850117401513449e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7943561611155356, -4.7539190264363055e-34, -5.5934826960206946e-36], [3.77976133269976e-33, 2.7943561611155356, 1.5700983520996428e-18], [-5.334375155526946e-35, 1.5700983520996426e-18, 2.7943561611155356]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.85011740e-10 -8.85011740e-10 -8.85011740e-10 -4.62874238e-27
  3.28863522e-35  1.98744150e-52]
energy per atom =  -4.361511890154803
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0