Tests for 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