calculation (id: 46) for Portlandite (Trigonal crystal system) via LAMMPS * ERICA FF (id:25)

calculation id: 46

added on 2020-04-09 11:54:45.127697 by masood.valavi@epfl.ch


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implementation
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forcefield
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description

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results
type value unit error comment
lattice constant a 3.67 Å 0.0
lattice constant b 3.67 Å 0.0
lattice constant c 4.85 Å 0.0
angle alpha 90.0 ° 0.0
angle beta 90.0 ° 0.0
angle gamma 120.0 ° 0.0