calculation (id: 43) for Ettringite via LAMMPS * ERICA FF (id:25)

calculation id: 43

added on 2020-04-09 11:43:40.346300 by masood.valavi@epfl.ch


type
implementation
system
forcefield
code
description
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results
type value unit error comment
lattice constant a 11.45 Å 0.0
lattice constant b 11.45 Å 0.0
lattice constant c 21.68 Å 0.0
angle alpha 90.0 ° 0.0
angle beta 90.0 ° 0.0
angle gamma 120.0 ° 0.0