element(s):
['Cr']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8741']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.8741, 0, 0], [0, 2.8741, 0], [0, 0, 2.8741]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:47:52       -3.407296        0.1103
BFGS:    1 17:47:52       -3.407748        0.0805
BFGS:    2 17:47:52       -3.408249        0.0026
BFGS:    3 17:47:52       -3.408249        0.0001
BFGS:    4 17:47:53       -3.408249        0.0000
BFGS:    5 17:47:53       -3.408249        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.817561629105763e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8659087734603665, 6.406851354009717e-33, -1.57226727696296e-33], [-1.4279050155254984e-33, 2.8659087734603665, -1.2725522854773865e-18], [2.842458462809701e-33, -1.27255228547738e-18, 2.8659087734603665]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.81756163e-14 -5.81756163e-14 -5.81756163e-14  1.89252814e-30
  1.25058867e-33 -1.00005888e-49]
energy per atom =  -1.7041247140144569
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0