element(s):
['Co', 'Cr']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7391']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Cr']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7391, 0, 0], [0, 3.7391, 0], [0, 0, 3.7391]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 01:05:48       -6.669067        1.5541
BFGS:    1 01:05:48       -6.770281        1.4830
BFGS:    2 01:05:48       -6.977811        1.2712
BFGS:    3 01:05:49       -7.147268        0.9718
BFGS:    4 01:05:49       -7.263735        0.5600
BFGS:    5 01:05:49       -7.308177        0.0060
BFGS:    6 01:05:49       -7.308181        0.0009
BFGS:    7 01:05:49       -7.308181        0.0000
BFGS:    8 01:05:50       -7.308181        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0666117528700685e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Cr']
basis =  [[7.75120704e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.530948211167137, -4.7086805690851476e-33, 6.002554774651436e-33], [1.436380144286287e-32, 3.530948211167137, 5.764737851101608e-18], [-3.928363351501904e-33, 5.764737851101614e-18, 3.530948211167137]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.06661175e-11  2.06661175e-11  2.06661175e-11  4.73914082e-29
 -8.23865882e-34 -2.23007589e-50]
energy per atom =  -1.8270452445197536
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0