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calculation (id: 43) for Ettringite via LAMMPS * ERICA FF (id:25)
calculation id: 43
added on 2020-04-09 11:43:40.346300 by
masood.valavi@epfl.ch
type
Molecular dynamics
implementation
LAMMPS * ERICA FF (id:25)
system
Ettringite
forcefield
ERICA FF
code
LAMMPS
description
references
none
files
none
results
type
value
unit
error
comment
lattice constant a
11.45
Å
0.0
lattice constant b
11.45
Å
0.0
lattice constant c
21.68
Å
0.0
angle alpha
90.0
°
0.0
angle beta
90.0
°
0.0
angle gamma
120.0
°
0.0