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:
Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000
==== 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 16:08:38       -8.721556         0.137789
BFGS:    1 16:08:38       -8.722256         0.099287
BFGS:    2 16:08:38       -8.723023         0.002019
BFGS:    3 16:08:38       -8.723024         0.000031
BFGS:    4 16:08:38       -8.723024         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.850116940535635e-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, -5.88179443753292e-33, -3.470522583413191e-34], [-5.514256060597422e-34, 2.7943561611155356, -6.367562514832372e-20], [-1.6225014299762452e-34, -6.367562514832399e-20, 2.7943561611155356]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.85011694e-10 -8.85011694e-10 -8.85011694e-10  3.50028575e-27
 -7.89272453e-34  1.28704179e-50]
energy per atom =  -4.361511890154804
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0