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calculation (id: 41) for Hydrogarnet via LAMMPS * ERICA FF (id:25)
calculation id: 41
added on 2020-04-09 11:19:16.199233 by
masood.valavi@epfl.ch
type
Molecular dynamics
implementation
LAMMPS * ERICA FF (id:25)
system
Hydrogarnet
forcefield
ERICA FF
code
LAMMPS
description
references
none
files
none
results
type
value
unit
error
comment
lattice constant a
12.63
Å
0.0
lattice constant b
12.63
Å
0.0
lattice constant c
12.63
Å
0.0
angle alpha
90.0
°
0.0
angle beta
90.0
°
0.0
angle gamma
90.0
°
0.0