calculation (id: 39) for Boehmite via LAMMPS * ERICA FF (id:25)

calculation id: 39

added on 2020-04-09 11:11:56.276871 by masood.valavi@epfl.ch


type
implementation
system

forcefield
code

description

references
  • none
files
  • none

results
type value unit error comment
lattice constant a 3.59 Å 0.0
lattice constant b 12.16 Å 0.0
lattice constant c 2.75 Å 0.0
angle alpha 90.1 ° 0.0
angle beta 90.1 ° 0.0
angle gamma 90.1 ° 0.0