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 11:34:40      -10.090954         0.368480
BFGS:    1 11:34:40      -10.096128         0.286394
BFGS:    2 11:34:40      -10.103667         0.017324
BFGS:    3 11:34:40      -10.103693         0.000745
BFGS:    4 11:34:40      -10.103693         0.000002
BFGS:    5 11:34:40      -10.103693         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3998943898929492e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9993803608849627, 4.0755304173094215e-32, -2.0079419697059328e-33], [-1.0953215249864833e-32, 2.9993803608849627, 2.1252470585200238e-19], [6.428824533550567e-33, 2.1252470585200065e-19, 2.9993803608849627]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.39989439e-11 -1.39989439e-11 -1.39989439e-11  9.40427757e-29
  2.28352685e-34 -1.05071828e-51]
energy per atom =  -5.05184631418246
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0