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 15:31:46      -17.807910         0.174886
BFGS:    1 15:31:47      -17.809141         0.153549
BFGS:    2 15:31:47      -17.813226         0.002885
BFGS:    3 15:31:47      -17.813228         0.000043
BFGS:    4 15:31:47      -17.813228         0.000000
BFGS:    5 15:31:47      -17.813228         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3416962734576252e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.90535901e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.487144183690976, -1.089870258152854e-32, -7.769420379811406e-33], [-2.3570067580444804e-33, 3.487144183690976, 1.287800873595593e-19], [9.336868551206179e-33, 1.2878008735954222e-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  1.23409024e-32
  7.91900616e-36 -2.93728440e-52]
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