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:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ni__MO_381861218831_004
==== 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 18:06:30       -8.424323        0.1805
BFGS:    1 18:06:30       -8.425521        0.1297
BFGS:    2 18:06:30       -8.426828        0.0033
BFGS:    3 18:06:30       -8.426829        0.0001
BFGS:    4 18:06:30       -8.426829        0.0000
BFGS:    5 18:06:30       -8.426829        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.3230159977377765e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7974018020517866, -7.343341122405197e-33, -2.5770970690113446e-33], [-1.1016455324370781e-33, 2.7974018020517866, -4.796495722947797e-21], [-1.797978742265362e-33, -4.7964957229499995e-21, 2.7974018020517866]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.32301600e-14 -2.32301600e-14 -2.32301600e-14  6.19081638e-31
  4.71712489e-35  2.22545779e-51]
energy per atom =  -4.213414269553785
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0