element(s):
['Co', 'Cr']
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:
['3.1963']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Cr']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.1963, 0, 0], [0, 3.1963, 0], [0, 0, 3.1963]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:24:16       -2.563413         1.739882
BFGS:    1 12:24:16       -2.693506         1.746325
BFGS:    2 12:24:17       -2.952370         1.684649
BFGS:    3 12:24:17       -3.190197         1.450990
BFGS:    4 12:24:18       -3.374581         0.950899
BFGS:    5 12:24:18       -3.452938         0.007937
BFGS:    6 12:24:19       -3.452942         0.002764
BFGS:    7 12:24:19       -3.452942         0.000005
BFGS:    8 12:24:19       -3.452942         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.753766290888795e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Cr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.837437508693985, 3.5701243280317314e-33, 1.7864751383426115e-32], [-1.2477629846776827e-32, 2.8374375086939856, 1.5443445811737912e-17], [-9.460776486922781e-33, 1.544344581173792e-17, 2.8374375086939856]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.75376629e-10 -2.75376629e-10 -2.75376629e-10  5.52457907e-26
  0.00000000e+00  1.91456882e-58]
energy per atom =  -1.7264710492838897
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0