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_001
==== 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 15:51:15       -3.407296         0.110347
BFGS:    1 15:51:15       -3.407748         0.080516
BFGS:    2 15:51:16       -3.408249         0.002620
BFGS:    3 15:51:16       -3.408249         0.000060
BFGS:    4 15:51:17       -3.408249         0.000000
BFGS:    5 15:51:17       -3.408249         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.900272343918156e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.865908773460366, -5.1806846821429796e-33, -3.021522436381253e-33], [-1.6935548928870972e-32, 2.865908773460366, -1.4009982599688256e-18], [3.917116836961552e-33, -1.4009982599688275e-18, 2.865908773460366]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.90027234e-14 -5.90027234e-14 -5.90027234e-14 -7.81937672e-31
 -1.56323584e-35 -1.64052331e-52]
energy per atom =  -1.7041247140144558
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0