GENERAL INFO

Title: /MDs/2.5nm/Odoping/bulk wuff
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/113297
Program: LAMMPS 29 Sep 2021 - Update 3
Author: Ibáñez-Alé, Enric
Calculation type: Molecular Dynamics ()

SETTINGS

Parameter Value

ATOM INFO

Atomic coordinates [Å]

Cell parameters:
a = 40.34
b = 40.34
c = 40.34
α = 90.0
β = 90.0
γ = 90.0
Coordinate type :Both Cartesian Fractional
Cartesian coordinates Fractional coordinates
x y z u v w

JOB |

Molecular dynamics