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%%% Contact: Saryu Fensin, saryuj@lanl.gov ----------------- %%%
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The zip file includes several files:

DisGB_Database_final_Sep24.xlsx is the Excel spreadsheet which contains all the interaction outcomes.
unique_X_Y.xlsx is the Excel spreadsheet which contains all unique macroscopically GB considered in this work.
110_heatmap_excel_sheet.xlsx and 112_heatmap_excel_sheet.xlsx are Excel spreadsheets which contains all possible Geometrical Criteria (m') for dislocation grain boundary interactions. 
template.zip includes all configurations and LAMMPS input files used to generate the database.

1. DisGB_Database_final_Sep24.xlsx:
The headers meaning are explained here.
tx,ty,tz : grain boundary tilt axis 
nx,ny,nz : grain boundary plane inclination
a,b,c : Indices of grid search over microscopic translational degrees of freedom
d: Crystal chosen to delete atoms
Type : dislocation type
Applied stress: applied stress (MPa)
Misorientation angle: misorientation angle (degrees)
Initial velocity: Index of velocity seed
GBE: grain boundary energy (mJ/m2)
Reaction_Mod: Dislocation-grain boundary reaction label 

2. 110_heatmap_excel_sheet.xlsx and 112_heatmap_excel_sheet.xlsx:

Each tab is the Geometrical Criteria (m') for each grain boundary. The number in the name of each tab is the index for the grain boundary, which can be looked up using the 
unique_X_Y.xlsx.