Dataset for: Spin–Strain Coupling and Direct Stark Response of the V_BC_B⁰ Center in Monolayer hBN

Per-run VASP inputs and outputs (INCAR, KPOINTS, POSCAR, CONTCAR, OSZICAR, OUTCAR) for all calculations reported in the associated manuscript: zero-field-splitting baselines, in-plane PEAD electric-field ladders (VASP 6.5.1 and 6.6.0), out-of-plane field series, biaxial/zigzag/armchair strain series, matched zero-field references, buckled-start planarity tests, k-mesh convergence checks, and diagnostic runs. Includes analysis scripts, representative inputs, per-series build provenance (VASP version, build date, and patched/stock binary per run), and the one-line dmatrix.F output-precision patch (source diff and binary SHA-256). WAVECAR/CHGCAR binaries are omitted for size; POTCARs are omitted per license, with titles recorded in build_patch/potcar_titles.txt. A file-level manifest with MD5 checksums is included (manifest.csv).