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VacancyFormationEnergyRelaxationVolume__TD_647413317626_000

Title
A single sentence description.
Monovacancy formation energy and relaxation volume for cubic and hcp monoatomic crystals
Description Computes the monovacancy formation energy and relaxation volume for cubic and hcp monoatomic crystals.
Contributor jl2922
Maintainer karls
Author Junhao Li
Publication Year 2018
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TD_647413317626_000
Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
VacancyFormationEnergyRelaxationVolume__TD_647413317626_000
Citable Link https://openkim.org/cite/TD_647413317626_000
KIM Item TypeTest Driver
Properties
Properties as defined in kimspec.edn.
KIM API Version1.9.0
Simulator Name
The name of the simulator as defined in kimspec.edn.
ase
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Python

Tests using this Test Driver

VacancyFormationEnergyRelaxationVolume_bcc_Ba__TE_712115318845_000
VacancyFormationEnergyRelaxationVolume_bcc_Cr__TE_525187364582_000
VacancyFormationEnergyRelaxationVolume_bcc_Cs__TE_318990141195_000
VacancyFormationEnergyRelaxationVolume_bcc_Fe__TE_453995604594_000
VacancyFormationEnergyRelaxationVolume_bcc_Fr__TE_410246327918_000
VacancyFormationEnergyRelaxationVolume_bcc_K__TE_251241552292_000
VacancyFormationEnergyRelaxationVolume_bcc_Li__TE_595259340274_000
VacancyFormationEnergyRelaxationVolume_bcc_Mn__TE_855656445661_000
VacancyFormationEnergyRelaxationVolume_bcc_Mo__TE_550457961151_000
VacancyFormationEnergyRelaxationVolume_bcc_Na__TE_907826399289_000
VacancyFormationEnergyRelaxationVolume_bcc_Nb__TE_865391109892_000
VacancyFormationEnergyRelaxationVolume_bcc_Ra__TE_672685985547_000
VacancyFormationEnergyRelaxationVolume_bcc_Rb__TE_799704228959_000
VacancyFormationEnergyRelaxationVolume_bcc_V__TE_081823945889_000
VacancyFormationEnergyRelaxationVolume_bcc_W__TE_197190379294_000
VacancyFormationEnergyRelaxationVolume_diamond_Ge__TE_644361879215_000
VacancyFormationEnergyRelaxationVolume_diamond_Si__TE_257097293769_000
VacancyFormationEnergyRelaxationVolume_fcc_Ac__TE_459886569229_000
VacancyFormationEnergyRelaxationVolume_fcc_Ag__TE_637108138696_000
VacancyFormationEnergyRelaxationVolume_fcc_Al__TE_472472909360_000
VacancyFormationEnergyRelaxationVolume_fcc_Au__TE_498189415365_000
VacancyFormationEnergyRelaxationVolume_fcc_Ca__TE_883977226850_000
VacancyFormationEnergyRelaxationVolume_fcc_Cu__TE_864259611541_000
VacancyFormationEnergyRelaxationVolume_fcc_Es__TE_678780352741_000
VacancyFormationEnergyRelaxationVolume_fcc_Ir__TE_196840104106_000
VacancyFormationEnergyRelaxationVolume_fcc_Ni__TE_904565390529_000
VacancyFormationEnergyRelaxationVolume_fcc_Pb__TE_350454522014_000
VacancyFormationEnergyRelaxationVolume_fcc_Pd__TE_634438191272_000
VacancyFormationEnergyRelaxationVolume_fcc_Pt__TE_437812956174_000
VacancyFormationEnergyRelaxationVolume_fcc_Rh__TE_450509095712_000
VacancyFormationEnergyRelaxationVolume_fcc_Sr__TE_859992451273_000
VacancyFormationEnergyRelaxationVolume_fcc_Th__TE_474273609000_000
VacancyFormationEnergyRelaxationVolume_fcc_Yb__TE_738873874192_000
VacancyFormationEnergyRelaxationVolume_hcp_Be__TE_232894419215_000
VacancyFormationEnergyRelaxationVolume_hcp_Cd__TE_375960085650_000
VacancyFormationEnergyRelaxationVolume_hcp_Co__TE_746865778644_000
VacancyFormationEnergyRelaxationVolume_hcp_He__TE_003328986195_000
VacancyFormationEnergyRelaxationVolume_hcp_Hf__TE_832320709867_000
VacancyFormationEnergyRelaxationVolume_hcp_Mg__TE_169055830505_000
VacancyFormationEnergyRelaxationVolume_hcp_Os__TE_130306881420_000
VacancyFormationEnergyRelaxationVolume_hcp_Re__TE_977718224207_000
VacancyFormationEnergyRelaxationVolume_hcp_Ru__TE_186084031988_000
VacancyFormationEnergyRelaxationVolume_hcp_Sc__TE_915692697191_000
VacancyFormationEnergyRelaxationVolume_hcp_Tc__TE_028862246266_000
VacancyFormationEnergyRelaxationVolume_hcp_Ti__TE_604598551707_000
VacancyFormationEnergyRelaxationVolume_hcp_Tl__TE_268969038054_000
VacancyFormationEnergyRelaxationVolume_hcp_Y__TE_045649628427_000
VacancyFormationEnergyRelaxationVolume_hcp_Zn__TE_135749693728_000
VacancyFormationEnergyRelaxationVolume_hcp_Zr__TE_109617109098_000
VacancyFormationEnergyRelaxationVolume_sc_F__TE_005839643373_000
VacancyFormationEnergyRelaxationVolume_sc_O__TE_032363109044_000
VacancyFormationEnergyRelaxationVolume_sc_Po__TE_075933809405_000


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