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 17:10:00       -8.760982         0.161624
BFGS:    1 17:10:00       -8.761990         0.129408
BFGS:    2 17:10:00       -8.763738         0.005176
BFGS:    3 17:10:00       -8.763741         0.000159
BFGS:    4 17:10:00       -8.763741         0.000000
BFGS:    5 17:10:00       -8.763741         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.43048820192374e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7687549763879957, 4.799541028783962e-34, 2.7831074749607674e-33], [-1.8531164520237013e-33, 2.7687549763879957, 1.6356267246886884e-20], [-2.6284764277066058e-33, 1.6356267246889116e-20, 2.7687549763879957]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.43048820e-13 -6.43048820e-13 -6.43048820e-13 -1.69251056e-29
 -1.33989315e-33 -9.03035758e-51]
energy per atom =  -4.354608938326134
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0