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
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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