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_001
==== 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 09:22:41       -6.669067         1.554103
BFGS:    1 09:22:41       -6.770281         1.483016
BFGS:    2 09:22:42       -6.977811         1.271168
BFGS:    3 09:22:42       -7.147268         0.971819
BFGS:    4 09:22:43       -7.263735         0.560018
BFGS:    5 09:22:43       -7.308177         0.006047
BFGS:    6 09:22:44       -7.308181         0.000912
BFGS:    7 09:22:44       -7.308181         0.000001
BFGS:    8 09:22:45       -7.308181         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.066563082554525e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Cr']
basis =  [[9.68900880e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.36354164e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.18177082e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.5309482111671366, -1.2349399484758685e-33, -1.9251473612979786e-33], [-3.671774784441586e-33, 3.5309482111671366, -1.2071687898372578e-17], [2.9941023069826074e-33, -1.2071687898372603e-17, 3.5309482111671366]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.06656308e-11  2.06656308e-11  2.06656308e-11  1.28208686e-27
 -1.58980369e-34 -1.40109659e-51]
energy per atom =  -1.8270452445197527
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0