calculation (id: 44) for Gypsum via LAMMPS * ERICA FF (id:25)

calculation id: 44

added on 2020-04-09 11:47:11.664528 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 6.6 Å 0.0
lattice constant b 15.5 Å 0.0
lattice constant c 5.61 Å 0.0
angle alpha 89.5 ° 0.0
angle beta 113.0 ° 0.0
angle gamma 90.0 ° 0.0