calculation (id: 22) for 14 Å tobermorite via GULP * CSH-FF (id:20)

calculation id: 22

added on 2016-08-09 20:29:48.093304 by lt15


type
implementation
system

forcefield
code

description

references
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results
type value unit error comment
lattice constant a 6.7 Å -0.005
lattice constant b 7.41 Å -0.002
lattice constant c 28.7 Å 0.03
angle alpha 90.01 ° 0.0001
angle beta 89.81 ° -0.002
angle gamma 123.77 ° 0.004