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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 16:07:02      -32.621821         6.698446
BFGS:    1 16:07:02      -33.007657         2.381371
BFGS:    2 16:07:02      -33.043398         0.497479
BFGS:    3 16:07:02      -33.045191         0.028322
BFGS:    4 16:07:02      -33.045197         0.000367
BFGS:    5 16:07:02      -33.045197         0.000000
BFGS:    6 16:07:02      -33.045197         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.4148251633238996e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.729703814988442, -2.2763333724911973e-33, -5.9368497739392536e-33], [4.4428869585761735e-33, 2.729703814988442, -3.7270499271165994e-19], [3.810763087735962e-33, -3.727049927116675e-19, 2.729703814988442]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [2.41482516e-13 2.41482516e-13 2.41482516e-13 4.41627038e-29
 8.27102647e-34 1.87722615e-51]
energy per atom =  -16.522598561704967
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0