calculation (id: 24) for 11 Å Tobermorite via GULP * CLAYFF (id:18)

calculation id: 24

added on 2016-08-09 20:40:25.529337 by lt15


type
implementation
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forcefield
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results
type value unit error comment
lattice constant a 6.77 Å 0.006
lattice constant b 7.33 Å -0.01
lattice constant c 24.51 Å 0.08
angle alpha 91.13 ° 0.01
angle beta 89.98 ° -0.0002
angle gamma 123.05 ° -0.004