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

Ag
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Ag__TE_637108138696_000 Monovacancy formation energy and relaxation volume for fcc Ag
Al
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Al__TE_472472909360_000 Monovacancy formation energy and relaxation volume for fcc Al
Au
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Au__TE_498189415365_000 Monovacancy formation energy and relaxation volume for fcc Au
Cu
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Cu__TE_864259611541_000 Monovacancy formation energy and relaxation volume for fcc Cu
Fe
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Fe__TE_453995604594_000 Monovacancy formation energy and relaxation volume for bcc Fe
Ge
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_diamond_Ge__TE_644361879215_000 Monovacancy formation energy and relaxation volume for diamond Ge
Mg
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Mg__TE_169055830505_000 Monovacancy formation energy and relaxation volume for hcp Mg
Ni
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Ni__TE_904565390529_000 Monovacancy formation energy and relaxation volume for fcc Ni
O
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_sc_O__TE_032363109044_000 Monovacancy formation energy and relaxation volume for sc O
Pt
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Pt__TE_437812956174_000 Monovacancy formation energy and relaxation volume for fcc Pt
Si
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_diamond_Si__TE_257097293769_000 Monovacancy formation energy and relaxation volume for diamond Si
Zn
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Zn__TE_135749693728_000 Monovacancy formation energy and relaxation volume for hcp Zn
Zr
Test ID Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Zr__TE_109617109098_000 Monovacancy formation energy and relaxation volume for hcp Zr