Tests for monovacancy-neutral-unrelaxed-formation-potential-energy-crystal-npt

The list below only includes Tests that have at least one result. To see all KIM Tests, see the Tests in the KIM Repository.

Link to Property Definition: monovacancy-neutral-unrelaxed-formation-potential-energy-crystal-npt

Ac
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Ac__TE_459886569229_001 Monovacancy formation energy and relaxation volume for fcc Ac
Ag
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Ag__TE_637108138696_001 Monovacancy formation energy and relaxation volume for fcc Ag
Al
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Al__TE_472472909360_001 Monovacancy formation energy and relaxation volume for fcc Al
Au
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Au__TE_498189415365_001 Monovacancy formation energy and relaxation volume for fcc Au
Ba
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Ba__TE_712115318845_001 Monovacancy formation energy and relaxation volume for bcc Ba
Be
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Be__TE_232894419215_001 Monovacancy formation energy and relaxation volume for hcp Be
Ca
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Ca__TE_883977226850_001 Monovacancy formation energy and relaxation volume for fcc Ca
Cd
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Cd__TE_375960085650_001 Monovacancy formation energy and relaxation volume for hcp Cd
Co
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Co__TE_746865778644_001 Monovacancy formation energy and relaxation volume for hcp Co
Cr
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Cr__TE_525187364582_001 Monovacancy formation energy and relaxation volume for bcc Cr
Cs
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Cs__TE_318990141195_001 Monovacancy formation energy and relaxation volume for bcc Cs
Cu
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Cu__TE_864259611541_001 Monovacancy formation energy and relaxation volume for fcc Cu
Es
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Es__TE_678780352741_001 Monovacancy formation energy and relaxation volume for fcc Es
Fe
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Fe__TE_453995604594_001 Monovacancy formation energy and relaxation volume for bcc Fe
Fr
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Fr__TE_410246327918_001 Monovacancy formation energy and relaxation volume for bcc Fr
Ge
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_diamond_Ge__TE_644361879215_001 Monovacancy formation energy and relaxation volume for diamond Ge
He
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_He__TE_003328986195_001 Monovacancy formation energy and relaxation volume for hcp He
Hf
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Hf__TE_832320709867_001 Monovacancy formation energy and relaxation volume for hcp Hf
Ir
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Ir__TE_196840104106_001 Monovacancy formation energy and relaxation volume for fcc Ir
K
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_bcc_K__TE_251241552292_001 Monovacancy formation energy and relaxation volume for bcc K
Li
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Li__TE_595259340274_001 Monovacancy formation energy and relaxation volume for bcc Li
Mg
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Mg__TE_169055830505_001 Monovacancy formation energy and relaxation volume for hcp Mg
Mo
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Mo__TE_550457961151_001 Monovacancy formation energy and relaxation volume for bcc Mo
Na
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Na__TE_907826399289_001 Monovacancy formation energy and relaxation volume for bcc Na
Nb
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Nb__TE_865391109892_001 Monovacancy formation energy and relaxation volume for bcc Nb
Ni
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Ni__TE_904565390529_001 Monovacancy formation energy and relaxation volume for fcc Ni
Os
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Os__TE_130306881420_001 Monovacancy formation energy and relaxation volume for hcp Os
Pb
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Pb__TE_350454522014_001 Monovacancy formation energy and relaxation volume for fcc Pb
Pd
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Pd__TE_634438191272_001 Monovacancy formation energy and relaxation volume for fcc Pd
Pt
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Pt__TE_437812956174_001 Monovacancy formation energy and relaxation volume for fcc Pt
Ra
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Ra__TE_672685985547_001 Monovacancy formation energy and relaxation volume for bcc Ra
Rb
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Rb__TE_799704228959_001 Monovacancy formation energy and relaxation volume for bcc Rb
Re
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Re__TE_977718224207_001 Monovacancy formation energy and relaxation volume for hcp Re
Rh
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Rh__TE_450509095712_001 Monovacancy formation energy and relaxation volume for fcc Rh
Ru
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Ru__TE_186084031988_001 Monovacancy formation energy and relaxation volume for hcp Ru
Sc
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Sc__TE_915692697191_001 Monovacancy formation energy and relaxation volume for hcp Sc
Si
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_diamond_Si__TE_257097293769_001 Monovacancy formation energy and relaxation volume for diamond Si
Sr
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Sr__TE_859992451273_001 Monovacancy formation energy and relaxation volume for fcc Sr
Tc
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Tc__TE_028862246266_001 Monovacancy formation energy and relaxation volume for hcp Tc
Th
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Th__TE_474273609000_001 Monovacancy formation energy and relaxation volume for fcc Th
Ti
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Ti__TE_604598551707_001 Monovacancy formation energy and relaxation volume for hcp Ti
Tl
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Tl__TE_268969038054_001 Monovacancy formation energy and relaxation volume for hcp Tl
V
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_bcc_V__TE_081823945889_001 Monovacancy formation energy and relaxation volume for bcc V
W
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_bcc_W__TE_197190379294_001 Monovacancy formation energy and relaxation volume for bcc W
Y
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Y__TE_045649628427_001 Monovacancy formation energy and relaxation volume for hcp Y
Yb
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Yb__TE_738873874192_001 Monovacancy formation energy and relaxation volume for fcc Yb
Zn
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Zn__TE_135749693728_001 Monovacancy formation energy and relaxation volume for hcp Zn
Zr
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Zr__TE_109617109098_001 Monovacancy formation energy and relaxation volume for hcp Zr