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:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Ni__MO_108408461881_001
==== 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 18:04:56       -8.764590        0.4523
BFGS:    1 18:04:56       -8.771894        0.2975
BFGS:    2 18:04:56       -8.776858        0.0334
BFGS:    3 18:04:56       -8.776920        0.0002
BFGS:    4 18:04:56       -8.776920        0.0000
BFGS:    5 18:04:56       -8.776920        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.345488022996554e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7598461739684303, -1.1922305537187439e-32, -8.308413568539782e-35], [-1.115508690000224e-32, 2.7598461739684303, -8.87928873954603e-19], [-1.5388425738088467e-33, -8.879288739546026e-19, 2.7598461739684303]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.34548802e-13 -4.34548802e-13 -4.34548802e-13 -8.73404554e-30
  3.37139369e-35  7.53287910e-52]
energy per atom =  -4.388460116724687
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0