Dear OVITO Users,
I have a LAMMPS data file that contains 2 slabs.
My goal is to determine the coordinates of the surface layer(s).
After I selected the atoms on the surface by manual selection how could I print the coordinates of this layer?
Thank you for your help!
Patrik
Hi Patrik,
Instead of manual selection you can use the Construct Surface Mesh modifier and its “Select particles on the surface” parameter to select all atoms on the surfaces of your crystal.
Once you have selected the atoms its easiest to use the Invert selection followed by the Delete selected modifiers to only retain the surface atoms in the scene. Afterwards you can use any of the OVITO file exporters to export the coordinates of the surface atoms to a file.
Alternatively you can copy and paste the coordinates straight from the data inspector:
Thank you very much for your help!
Is it possible to get the coordinates of the highlighted “slab”. I mean if you have a top surface of a geometry then you can determine x1-x2, y1-y2, z1-z2 coordinates of this highlighted surface.
You can use the ReduceProperty Python Extension to calculate the min / max values of any property. This requires the development version of OVITO Pro 3.11, which you can download here.
If this solution doesn’t meet your needs, please let us know, and we can prioritize the development of a native implementation.
