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_KavousiNovakBaskes_2019_NiTi__MO_050461957184_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 18:06:11       -8.757857        0.1211
BFGS:    1 18:06:11       -8.758398        0.0873
BFGS:    2 18:06:11       -8.758991        0.0016
BFGS:    3 18:06:11       -8.758991        0.0000
BFGS:    4 18:06:11       -8.758991        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.64472948826386e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.793140513871604, -7.540210442471548e-33, 4.860946317885175e-35], [-8.825900156975099e-33, 2.793140513871604, 1.619708178926482e-20], [-3.8114375383750873e-34, 1.6197081789265557e-20, 2.793140513871604]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.64472949e-10 -4.64472949e-10 -4.64472949e-10  1.16327785e-27
 -5.66985411e-44 -4.65304258e-58]
energy per atom =  -4.379495480730745
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0