element(s):
['Mn', 'Ni']
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:
['2.9926']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mn', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.9926, 0, 0], [0, 2.9926, 0], [0, 0, 2.9926]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:33:33       -2.525738         0.303655
BFGS:    1 12:33:33       -2.529344         0.250090
BFGS:    2 12:33:34       -2.536196         0.034599
BFGS:    3 12:33:34       -2.536311         0.003317
BFGS:    4 12:33:34       -2.536312         0.000039
BFGS:    5 12:33:35       -2.536312         0.000000
BFGS:    6 12:33:35       -2.536312         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.6453164233314276e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9591608534444322, 6.248023815026582e-33, -3.4724435981602594e-33], [5.2195671792786634e-33, 2.9591608534444322, 7.198135225100843e-20], [-6.445755972603479e-34, 7.198135225101022e-20, 2.9591608534444322]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.64531642e-14  4.64531642e-14  4.64531642e-14  9.26572811e-31
 -2.13821177e-50  1.48368246e-63]
energy per atom =  -1.268156005896766
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0