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
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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