# Data for: "Revealing the Low Temperature Phase of FAPbI3 Using a Machine-Learned Potential"
This dataset contains NEP relaxed structures of relevant phases of FAPbI3, cooled structure obtained from molecular dynamics cooling simulation, structures used for NMR spectra computation, and experimental NMR data 
## Files
### XYZ structure files (96-atoms)
- a0b-b-_nep_relaxed.xyz
- a-b-b-_nep_relaxed.xyz
- a-a-c+_nep_relaxed.xyz
- a0a0c+_nep_relaxed.xyz
- a-a-a-_nep_relaxed.xyz
- a+a+a+_nep_relaxed.xyz

### XYZ structure file of final cooled structure obtained from MD cooling run with cooling rate 6.34 K/ns (49152-atoms)
-cooled_md.xyz

### XYZ structure files of a-a-c+ phase with different FA orientations used to compute the NMR spectra (96-atoms)
-orientation1_a-a-c+.xyz
-orientation2_a-a-c+.xyz
-orientation3_a-a-c+.xyz
