This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• pristine.CIF: Pristine diamond supercell
• B_(1-).CIF: Acceptor-B model (1- charge state)
• Be_(1-).CIF: Acceptor-Be model (1- charge state)
• Be_(2-).CIF: Acceptor-Be model (2- charge state)
• N_(1+).CIF: Donor-N model (1+ charge state)
• P_(1+).CIF: Donor-P model (1+ charge state)
• O_(1+).CIF: Donor-O model (1+ charge state)
• O_(2+).CIF: Donor-O model (2+ charge state)
• S_(1+).CIF: Donor-S model (1+ charge state)
• S_(2+).CIF: Donor-S model (2+ charge state)
• NV_(1+).CIF: NV-center model (1+ charge state)
• NV_(1-;A).CIF: NV-center model (1- charge state, point A)
• NV_(1-;B).CIF: NV-center model (1- charge state, point B)
• NV_(1-;C).CIF: NV-center model (1- charge state, point C)
• NV_(1-;D).CIF: NV-center model (1- charge state, point D)
• NV-N_(A).CIF: NV-N model (point A)
• NV-N_(B).CIF: NV-N model (point B)
• NV-N_(C).CIF: NV-N model (point C)
• NV-N_(D).CIF: NV-N model (point D)
• NV-P_(A).CIF: NV-P model (point A)
• NV-P_(B).CIF: NV-P model (point B)
• NV-P_(C).CIF: NV-P model (point C)
• NV-P_(D).CIF: NV-P model (point D)
• N-B.CIF: N-B model
• NV-B.CIF: NV-B model
• Be-O_(parallel).CIF: Be-O model (parallel-spin configuration)
• Be-O_(anti_parallel).CIF: Be-O model (anti-parallel-spin configuration)
• Be-S.CIF: Be-S model
• N-Be-N.CIF: N-Be-N model
• SiV_(1-;PBE_initial).CIF: SiV-center model (1- charge state, initial PBE-relaxed geometry)
• SiV_(1-;HSE06).CIF: SiV-center model (1- charge state, HSE06-relaxed geometry)
• SiV_(1-;PBE_after_HSE06).CIF: SiV-center model (1- charge state, PBE-relaxed geometry after HSE06 optimization)
• SiV-N_(PBE_initial).CIF: SiV-N model (initial PBE-relaxed geometry)
• SiV-N_(HSE06).CIF: SiV-N model (HSE06-relaxed geometry)
• SiV-N_(PBE_after_HSE06).CIF: SiV-N model (PBE-relaxed geometry after HSE06 optimization)