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_MaiselKoZhang_2017_VNiTi__SM_971529344487_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 15:22:35      -10.090954        0.3685
BFGS:    1 15:22:35      -10.096128        0.2864
BFGS:    2 15:22:35      -10.103667        0.0173
BFGS:    3 15:22:35      -10.103693        0.0007
BFGS:    4 15:22:35      -10.103693        0.0000
BFGS:    5 15:22:35      -10.103693        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3999100174585743e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9993803608849214, -1.6734797320505796e-32, 2.1014209664802477e-33], [-6.984079335167941e-33, 2.9993803608849214, 6.233869046924242e-18], [2.023083215776801e-33, 6.233869046924242e-18, 2.9993803608849214]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.39991002e-11 -1.39991002e-11 -1.39991002e-11  6.13125754e-28
  1.45320882e-60 -4.68909614e-60]
energy per atom =  -5.051846314183913
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0