GENERAL INFO

Title: /MDs/7.5nm/vacancy/bulk0.05 cubic
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/113339
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 = 90.0
b = 90.0
c = 90.0
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