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:
Sim_LAMMPS_HybridOverlay_BelandLuOsetskiy_2016_CoNi__SM_445377835613_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 18:06:29       -8.760982        0.1616
BFGS:    1 18:06:29       -8.761990        0.1294
BFGS:    2 18:06:29       -8.763738        0.0052
BFGS:    3 18:06:29       -8.763741        0.0002
BFGS:    4 18:06:29       -8.763741        0.0000
BFGS:    5 18:06:29       -8.763741        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.431645485804281e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7687549763879953, -2.6200941032849242e-34, 2.0321045492576894e-33], [1.85671951487788e-33, 2.7687549763879953, 1.6358047820232466e-20], [5.306007600235883e-33, 1.6358047820231352e-20, 2.7687549763879953]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.43164549e-13 -6.43164549e-13 -6.43164549e-13  2.08181353e-30
 -1.60787177e-33 -1.96887410e-49]
energy per atom =  -4.354608938326133
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0