calculation (id: 45) for Calcium Sulfate unhydrate via LAMMPS * ERICA FF (id:25)

calculation id: 45

added on 2020-04-09 11:50:31.621246 by masood.valavi@epfl.ch


type
implementation
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forcefield
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description

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results
type value unit error comment
lattice constant a 7.35 Å 0.0
lattice constant b 7.35 Å 0.0
lattice constant c 6.45 Å 0.0
angle alpha 90.0 ° 0.0
angle beta 90.0 ° 0.0
angle gamma 90.0 ° 0.0