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:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== 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 17:09:54      -17.807910        0.1749
BFGS:    1 17:09:54      -17.809141        0.1535
BFGS:    2 17:09:54      -17.813226        0.0029
BFGS:    3 17:09:54      -17.813228        0.0000
BFGS:    4 17:09:54      -17.813228        0.0000
BFGS:    5 17:09:54      -17.813228        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3416962734576258e-15 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([[3.487144183690976, 9.150251630439086e-33, 2.808838956801404e-33], [9.719915094375846e-33, 3.487144183690976, 1.27050479245569e-19], [-7.858988457723097e-33, 1.270504792455893e-19, 3.487144183690976]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.34169627e-15 -1.34169627e-15 -1.34169627e-15  1.75793843e-32
  1.05586749e-35 -8.06469144e-55]
energy per atom =  -4.453306892309846
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0