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_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== 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 14:51:17       -3.660822        0.4716
BFGS:    1 14:51:17       -3.664209        0.3732
BFGS:    2 14:51:18       -3.671514        0.0544
BFGS:    3 14:51:18       -3.671609        0.0331
BFGS:    4 14:51:18       -3.671662        0.0162
BFGS:    5 14:51:18       -3.671672        0.0043
BFGS:    6 14:51:18       -3.671672        0.0003
BFGS:    7 14:51:19       -3.671672        0.0000
BFGS:    8 14:51:19       -3.671672        0.0000
BFGS:    9 14:51:19       -3.671672        0.0000
BFGS:   10 14:51:19       -3.671672        0.0000
Minimization converged after 10 steps.
Maximum force component: 1.23725912566163e-31 eV/Angstrom
Maximum stress component: 2.8129854048715552e-11 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([[2.4837209092941213, -3.724363379980479e-19, -2.900938185189049e-37], [-1.2418604546470606, 2.150965403359295, 2.2689352861614336e-36], [-4.102329318882261e-37, 5.308040445584527e-36, 4.05223503544378]])
forces =  [[-3.06142238e-32  1.76751304e-32  2.10283127e-68]
 [-5.10237064e-32  1.23725913e-31  1.28127883e-67]]
stress =  [-2.57452272e-12 -2.57452272e-12 -2.81298540e-11 -1.41414000e-33
 -8.16454111e-34  8.14188362e-28]
energy per atom =  -1.8358362462298676
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0