calculation (id: 37) for Gibbsite via LAMMPS * ERICA FF (id:25)

calculation id: 37

added on 2020-04-09 11:04:45.967238 by masood.valavi@epfl.ch


type
implementation
system
forcefield
code
description
references
  • none
files
  • none
results
type value unit error comment
lattice constant a 8.84 n/a 0.0
lattice constant b 5.18 Å 0.0
lattice constant c 9.91 Å 0.0
angle alpha 90.0 ° 0.0
angle beta 94.6 ° 0.0
angle gamma 90.0 ° 0.0