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 15:17:28       -8.761835        0.6438
BFGS:    1 15:17:28       -8.770082        0.4552
BFGS:    2 15:17:28       -8.777882        0.0774
BFGS:    3 15:17:28       -8.778012        0.0437
BFGS:    4 15:17:28       -8.778145        0.0409
BFGS:    5 15:17:28       -8.778265        0.0263
BFGS:    6 15:17:28       -8.778305        0.0091
BFGS:    7 15:17:28       -8.778310        0.0022
BFGS:    8 15:17:28       -8.778310        0.0001
BFGS:    9 15:17:28       -8.778310        0.0000
BFGS:   10 15:17:28       -8.778310        0.0000
BFGS:   11 15:17:28       -8.778310        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.6469008928591564e-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, 4.130580816132557e-19, 2.439226337413182e-37], [-1.2593704264010572, 2.181293564076312, 7.695510047900875e-38], [-4.452940400640612e-37, 8.403101783526961e-36, 4.0557731821739]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.96622648e-11 -8.96622648e-11 -2.64690089e-10  2.32210275e-34
  4.02199994e-34  2.08426551e-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