element(s):
['Ni', 'Ti']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0337']
model name:
Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.0337, 0, 0], [0, 3.0337, 0], [0, 0, 3.0337]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:20:40      -10.090954        0.3685
BFGS:    1 15:20:40      -10.096128        0.2864
BFGS:    2 15:20:40      -10.103667        0.0173
BFGS:    3 15:20:40      -10.103693        0.0007
BFGS:    4 15:20:40      -10.103693        0.0000
BFGS:    5 15:20:40      -10.103693        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3999476855109513e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9993803608849623, 6.852127236447408e-33, 1.4296065094499937e-32], [-9.583207399448476e-33, 2.9993803608849623, 2.124842093988433e-19], [1.2308516753122734e-32, 2.1248420939884808e-19, 2.9993803608849623]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.39994769e-11 -1.39994769e-11 -1.39994769e-11  4.66090398e-27
 -5.70881712e-34  5.44920418e-50]
energy per atom =  -5.051846314182459
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0