Tests for monovacancy-neutral-relaxed-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
VacancyFormationMigration_fcc_Ag__TE_930419041081_001	Vacancy formation and migration energy for fcc Ag

Al

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Al__TE_472472909360_001	Monovacancy formation energy and relaxation volume for fcc Al
VacancyFormationMigration_fcc_Al__TE_209799619356_001	Vacancy formation and migration energy for fcc Al

Au

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Au__TE_498189415365_001	Monovacancy formation energy and relaxation volume for fcc Au
VacancyFormationMigration_fcc_Au__TE_591056455495_001	Vacancy formation and migration energy for fcc Au

Ba

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Ba__TE_712115318845_001	Monovacancy formation energy and relaxation volume for bcc Ba
VacancyFormationMigration_bcc_Ba__TE_595751513940_001	Vacancy formation and migration energy for bcc Ba

Be

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Be__TE_232894419215_001	Monovacancy formation energy and relaxation volume for hcp Be
VacancyFormationMigration_hcp_Be__TE_844372083395_001	Vacancy formation and migration energy for hcp Be

Ca

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Ca__TE_883977226850_001	Monovacancy formation energy and relaxation volume for fcc Ca
VacancyFormationMigration_fcc_Ca__TE_306126767079_001	Vacancy formation and migration energy for fcc Ca

Cd

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Cd__TE_375960085650_001	Monovacancy formation energy and relaxation volume for hcp Cd
VacancyFormationMigration_hcp_Cd__TE_434298741337_001	Vacancy formation and migration energy for hcp Cd

Co

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Co__TE_746865778644_001	Monovacancy formation energy and relaxation volume for hcp Co
VacancyFormationMigration_hcp_Co__TE_612779063208_001	Vacancy formation and migration energy for hcp Co

Cr

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Cr__TE_525187364582_001	Monovacancy formation energy and relaxation volume for bcc Cr
VacancyFormationMigration_bcc_Cr__TE_308041565541_001	Vacancy formation and migration energy for bcc Cr

Cs

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Cs__TE_318990141195_001	Monovacancy formation energy and relaxation volume for bcc Cs
VacancyFormationMigration_bcc_Cs__TE_786510643277_001	Vacancy formation and migration energy for bcc Cs

Cu

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Cu__TE_864259611541_001	Monovacancy formation energy and relaxation volume for fcc Cu
VacancyFormationMigration_fcc_Cu__TE_038488899376_001	Vacancy formation and migration energy for fcc Cu

Es

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Es__TE_678780352741_001	Monovacancy formation energy and relaxation volume for fcc Es
VacancyFormationMigration_fcc_Es__TE_507588775324_001	Vacancy formation and migration energy for fcc Es

Fe

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Fe__TE_453995604594_001	Monovacancy formation energy and relaxation volume for bcc Fe
VacancyFormationMigration_bcc_Fe__TE_424131500075_001	Vacancy formation and migration energy for bcc Fe

Fr

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Fr__TE_410246327918_001	Monovacancy formation energy and relaxation volume for bcc Fr
VacancyFormationMigration_bcc_Fr__TE_477528717572_001	Vacancy formation and migration energy for bcc Fr

Ge

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_diamond_Ge__TE_644361879215_001	Monovacancy formation energy and relaxation volume for diamond Ge
VacancyFormationMigration_diamond_Ge__TE_771748688857_001	Vacancy formation and migration energy for diamond Ge

He

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_hcp_He__TE_003328986195_001	Monovacancy formation energy and relaxation volume for hcp He
VacancyFormationMigration_hcp_He__TE_359521988045_001	Vacancy formation and migration energy for hcp He

Hf

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Hf__TE_832320709867_001	Monovacancy formation energy and relaxation volume for hcp Hf
VacancyFormationMigration_hcp_Hf__TE_101580974684_001	Vacancy formation and migration energy 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
VacancyFormationMigration_bcc_K__TE_885611515463_001	Vacancy formation and migration energy for bcc K

Li

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Li__TE_595259340274_001	Monovacancy formation energy and relaxation volume for bcc Li
VacancyFormationMigration_bcc_Li__TE_935257445423_001	Vacancy formation and migration energy for bcc Li

Mg

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Mg__TE_169055830505_001	Monovacancy formation energy and relaxation volume for hcp Mg
VacancyFormationMigration_hcp_Mg__TE_510743441348_001	Vacancy formation and migration energy for hcp Mg

Mo

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Mo__TE_550457961151_001	Monovacancy formation energy and relaxation volume for bcc Mo
VacancyFormationMigration_bcc_Mo__TE_307021336684_001	Vacancy formation and migration energy for bcc Mo

Na

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Na__TE_907826399289_001	Monovacancy formation energy and relaxation volume for bcc Na
VacancyFormationMigration_bcc_Na__TE_232855806262_001	Vacancy formation and migration energy for bcc Na

Nb

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_bcc_Nb__TE_865391109892_001	Monovacancy formation energy and relaxation volume for bcc Nb
VacancyFormationMigration_bcc_Nb__TE_143720853244_001	Vacancy formation and migration energy for bcc Nb

Ni

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Ni__TE_904565390529_001	Monovacancy formation energy and relaxation volume for fcc Ni
VacancyFormationMigration_fcc_Ni__TE_762881942024_001	Vacancy formation and migration energy for fcc Ni

O

Test ID	Test Title
VacancyFormationMigration_sc_O__TE_006415178296_001	Vacancy formation and migration energy for sc O

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
VacancyFormationMigration_fcc_Pb__TE_603722864659_001	Vacancy formation and migration energy for fcc Pb

Pd

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Pd__TE_634438191272_001	Monovacancy formation energy and relaxation volume for fcc Pd
VacancyFormationMigration_fcc_Pd__TE_823106475257_001	Vacancy formation and migration energy for fcc Pd

Pt

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Pt__TE_437812956174_001	Monovacancy formation energy and relaxation volume for fcc Pt
VacancyFormationMigration_fcc_Pt__TE_143190656999_001	Vacancy formation and migration energy 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
VacancyFormationMigration_bcc_Rb__TE_786023654565_001	Vacancy formation and migration energy for bcc Rb

Re

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Re__TE_977718224207_001	Monovacancy formation energy and relaxation volume for hcp Re
VacancyFormationMigration_hcp_Re__TE_197485947906_001	Vacancy formation and migration energy 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
VacancyFormationMigration_hcp_Ru__TE_531534514884_001	Vacancy formation and migration energy 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
VacancyFormationMigration_diamond_Si__TE_662280895854_001	Vacancy formation and migration energy for diamond Si

Sr

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Sr__TE_859992451273_001	Monovacancy formation energy and relaxation volume for fcc Sr
VacancyFormationMigration_fcc_Sr__TE_277433897462_001	Vacancy formation and migration energy 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
VacancyFormationMigration_hcp_Ti__TE_626277981382_001	Vacancy formation and migration energy 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
VacancyFormationMigration_bcc_V__TE_542565387610_001	Vacancy formation and migration energy for bcc V

W

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_bcc_W__TE_197190379294_001	Monovacancy formation energy and relaxation volume for bcc W
VacancyFormationMigration_bcc_W__TE_485565507879_001	Vacancy formation and migration energy for bcc W

Y

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Y__TE_045649628427_001	Monovacancy formation energy and relaxation volume for hcp Y
VacancyFormationMigration_hcp_Y__TE_228784635023_001	Vacancy formation and migration energy for hcp Y

Yb

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_fcc_Yb__TE_738873874192_001	Monovacancy formation energy and relaxation volume for fcc Yb
VacancyFormationMigration_fcc_Yb__TE_971605985045_001	Vacancy formation and migration energy for fcc Yb

Zn

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Zn__TE_135749693728_001	Monovacancy formation energy and relaxation volume for hcp Zn
VacancyFormationMigration_hcp_Zn__TE_345855404704_001	Vacancy formation and migration energy for hcp Zn

Zr

Test ID	Test Title
VacancyFormationEnergyRelaxationVolume_hcp_Zr__TE_109617109098_001	Monovacancy formation energy and relaxation volume for hcp Zr
VacancyFormationMigration_hcp_Zr__TE_178839066650_001	Vacancy formation and migration energy for hcp Zr