calculation (id: 36) for Tricalcium silicate (Monoclinic crystal system) via LAMMPS * ERICA FF (id:25)

calculation id: 36

added on 2020-04-08 13:44:59.137309 by masood.valavi@epfl.ch


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results
type value unit error comment
lattice constant a 12.37 Å 0.01
lattice constant b 7.15 Å 0.011
lattice constant c 9.44 Å 0.015
angle alpha 90.0 ° 0.0
angle beta 115.8 ° 0.0
angle gamma 90.0 ° 0.0