cemff
Forcefields
Forcefields
Implementations
Potential terms
Systems
Systems
Compounds
Elements
Calculations
Benchmarks
Compare
register
login
calculation (id: 37) for Gibbsite via LAMMPS * ERICA FF (id:25)
calculation id: 37
added on 2020-04-09 11:04:45.967238 by
masood.valavi@epfl.ch
type
Molecular dynamics
implementation
LAMMPS * ERICA FF (id:25)
system
Gibbsite
forcefield
ERICA FF
code
LAMMPS
description
references
none
files
none
results
type
value
unit
error
comment
lattice constant a
8.84
n/a
0.0
lattice constant b
5.18
Å
0.0
lattice constant c
9.91
Å
0.0
angle alpha
90.0
°
0.0
angle beta
94.6
°
0.0
angle gamma
90.0
°
0.0