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_KimKimJung_2017_NiAlTi__MO_478967255435_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 16:33:41      -17.794798         0.184837
BFGS:    1 16:33:41      -17.796157         0.158451
BFGS:    2 16:33:41      -17.799997         0.004166
BFGS:    3 16:33:41      -17.800000         0.000098
BFGS:    4 16:33:41      -17.800000         0.000000
BFGS:    5 16:33:41      -17.800000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.607742972261842e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.5213917414980824, -9.3215135019833e-33, -8.609644291470813e-35], [-9.029853988875412e-33, 3.5213917414980824, -8.865986509207625e-20], [-6.668280225027476e-35, -8.865986509207672e-20, 3.5213917414980824]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.60774297e-14 -8.60774297e-14 -8.60774297e-14  3.24634440e-31
  4.65943285e-35 -1.19181196e-53]
energy per atom =  -4.450000000476994
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0