calculation (id: 20) for 14 Å tobermorite via GULP * Core-shell (id:19)

calculation id: 20

added on 2016-08-09 20:01:25.659016 by lt15


type
implementation
system

forcefield
code

description

references
  • none
files
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results
type value unit error comment
lattice constant a 6.94 Å 0.03
lattice constant b 7.35 Å -0.01
lattice constant c 28.35 Å 0.01
angle alpha 90.0 ° 0.0
angle beta 90.0 ° 0.0
angle gamma 123.07 ° -0.001