element(s):
['Co', 'Ni']
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:
['2.8488']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.8488, 0, 0], [0, 2.8488, 0], [0, 0, 2.8488]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:36:32       -3.494011         0.574398
BFGS:    1 17:36:34       -3.506577         0.444448
BFGS:    2 17:36:36       -3.522021         0.107309
BFGS:    3 17:36:38       -3.522772         0.014358
BFGS:    4 17:36:41       -3.522786         0.000388
BFGS:    5 17:36:43       -3.522786         0.000001
BFGS:    6 17:36:45       -3.522786         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3170928212957352e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8039681494904274, 5.875460771792092e-33, 4.995331625576111e-33], [-1.7609038984167458e-32, 2.8039681494904274, -1.1691812474716608e-18], [-1.889810966453932e-34, -1.1691812474716652e-18, 2.8039681494904274]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.31709282e-11  1.31709282e-11  1.31709282e-11 -2.65706381e-27
  5.22580323e-34 -8.07330421e-50]
energy per atom =  -1.7613930617615017
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0