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calculation (id: 34) for 14 Å tobermorite via LAMMPS * ERICA FF (id:25)
calculation id: 34
added on 2020-04-08 13:32:18.146329 by
masood.valavi@epfl.ch
type
Molecular dynamics
implementation
LAMMPS * ERICA FF (id:25)
system
14 Å tobermorite
forcefield
ERICA FF
code
LAMMPS
description
references
none
files
none
results
type
value
unit
error
comment
lattice constant a
6.88
Å
0.022
angle gamma
123.2
°
0.012
lattice constant c
27.92
Å
0.02
angle alpha
90.4
°
0.0
angle beta
91.7
°
0.0
lattice constant b
7.88
Å
0.0