element(s):
['Ni']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5048']
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 =  225
cell =  [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:10:20      -17.794846        0.1831
BFGS:    1 17:10:20      -17.796181        0.1572
BFGS:    2 17:10:20      -17.799997        0.0041
BFGS:    3 17:10:20      -17.800000        0.0001
BFGS:    4 17:10:20      -17.800000        0.0000
BFGS:    5 17:10:20      -17.800000        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.3515612332279e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.70913421e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.54567103e-37]]
cellpar =  Cell([[3.521391741284749, -1.4301046460539334e-34, 9.360210865623158e-36], [4.0832909314792195e-33, 3.521391741284749, -4.5874494737596956e-20], [4.2443199132825957e-35, -4.587449473759709e-20, 3.521391741284749]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.35156123e-14 -8.35156123e-14 -8.35156123e-14 -4.21650747e-32
  2.56078211e-64 -1.31570925e-62]
energy per atom =  -4.450000000475749
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0