element(s):
['Co']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5032', '1.5893656']
model name:
Sim_LAMMPS_HybridOverlay_BelandLuOsetskiy_2016_CoNi__SM_445377835613_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.5032, 0, 0], [-1.2516, 2.1678347907532, 0], [0, 0, 3.9785]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 18:02:52       -8.761835         0.643847
BFGS:    1 18:02:52       -8.770082         0.455211
BFGS:    2 18:02:52       -8.777882         0.077414
BFGS:    3 18:02:52       -8.778012         0.043683
BFGS:    4 18:02:52       -8.778145         0.040866
BFGS:    5 18:02:52       -8.778265         0.026328
BFGS:    6 18:02:52       -8.778305         0.009137
BFGS:    7 18:02:52       -8.778310         0.002233
BFGS:    8 18:02:52       -8.778310         0.000140
BFGS:    9 18:02:52       -8.778310         0.000008
BFGS:   10 18:02:52       -8.778310         0.000000
BFGS:   11 18:02:52       -8.778310         0.000000
Minimization converged after 11 steps.
Maximum force component: 2.5871564963002853e-33 eV/Angstrom
Maximum stress component: 2.64689908206673e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.5187408528021145, 4.1301299223555575e-19, 1.2716104332105232e-38], [-1.2593704264010572, 2.1812935640763125, 3.316285609484836e-36], [1.2131454946826644e-37, -1.5047600018301328e-36, 4.0557731821739]])
forces =  [[-2.58715650e-33 -4.24231514e-52 -1.30615073e-71]
 [ 2.58715650e-33  4.24231514e-52  1.30615073e-71]]
stress =  [-8.96616353e-11 -8.96616353e-11 -2.64689908e-10 -2.98970729e-33
  1.25687498e-33  3.80087352e-26]
energy per atom =  -4.372018793789949
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0