element(s):
['Co', 'Fe']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9062']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Fe']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.9062, 0, 0], [0, 2.9062, 0], [0, 0, 2.9062]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:29:31       -3.453575         0.877317
BFGS:    1 11:29:32       -3.483654         0.718675
BFGS:    2 11:29:32       -3.528533         0.210102
BFGS:    3 11:29:32       -3.531165         0.049406
BFGS:    4 11:29:32       -3.531334         0.002541
BFGS:    5 11:29:33       -3.531334         0.000033
BFGS:    6 11:29:33       -3.531334         0.000000
BFGS:    7 11:29:33       -3.531334         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5911585802628286e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.828472131443316, 7.342443816773778e-34, 4.794063563511891e-33], [7.264539245354454e-33, 2.828472131443316, -1.640823037544414e-18], [5.4955559634134146e-33, -1.640823037544424e-18, 2.828472131443316]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.59115858e-14  1.59115858e-14  1.59115858e-14 -2.59221736e-30
 -7.70347462e-34  2.04248867e-49]
energy per atom =  -1.7656670184581689
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0