calculation (id: 35) for Corundum via LAMMPS * ERICA FF (id:25)

calculation id: 35

added on 2020-04-08 13:39:03.399439 by masood.valavi@epfl.ch


type
implementation
system

forcefield
code

description

references
  • none
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results
type value unit error comment
lattice constant a 4.71 Å 0.01
lattice constant b 4.71 Å 0.01
lattice constant c 12.94 Å 0.003
angle alpha 90.0 ° 0.0
angle beta 90.0 ° 0.0
angle gamma 90.0 ° 0.0