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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 15:31:55      -67.539436         8.877792
BFGS:    1 15:31:55      -68.622002         5.496044
BFGS:    2 15:31:55      -69.111547         0.814609
BFGS:    3 15:31:55      -69.120452         0.139775
BFGS:    4 15:31:55      -69.120713         0.002820
BFGS:    5 15:31:55      -69.120713         0.000009
BFGS:    6 15:31:55      -69.120713         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.351046762068805e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.41157059e-37 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.4106510121947182, -1.0054739495932067e-32, 1.8890587560674442e-33], [-9.674585089821471e-33, 3.4106510121947182, -1.5998900733652424e-20], [-2.913013891949725e-33, -1.5998900733653104e-20, 3.4106510121947182]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.35104676e-11 -6.35104676e-11 -6.35104676e-11 -1.29522711e-28
  1.10376002e-34  4.88577711e-52]
energy per atom =  -17.280178335391128
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0