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ElasticConstantsCubic__TD_011862047401_004

Title
A single sentence description.
Elastic constants for cubic crystals at zero temperature and pressure v004
Description Computes the cubic elastic constants for some common crystal types (fcc, bcc, sc) by calculating the hessian of the energy density with respect to strain. An estimate of the error associated with the numerical differentiation performed is reported.
Contributor jl2922
Maintainer jl2922
Author Junhao Li
Publication Year 2018
Source Citations
A citation to primary published work(s) that describe this KIM Item.

Huntington HB (1958) The Elastic Constants of Crystals. Solid State Physics 7:213–351. doi:10.1016/S0081-1947(08)60553-6

Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TD_011862047401_004
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.
ElasticConstantsCubic__TD_011862047401_004
DOI 10.25950/75393d88
https://doi.org/10.25950/75393d88
https://search.datacite.org/works/10.25950/75393d88
KIM Item TypeTest Driver
Properties
Properties as defined in kimspec.edn.
KIM API Version2.0
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
Previous Version ElasticConstantsCubic__TD_011862047401_003

Tests using this Test Driver

ElasticConstantsCubic_bcc_Ac__TE_791391749243_004
ElasticConstantsCubic_bcc_Ag__TE_800990874257_004
ElasticConstantsCubic_bcc_Al__TE_143620255826_004
ElasticConstantsCubic_bcc_Am__TE_762214084008_004
ElasticConstantsCubic_bcc_Ar__TE_557478345197_004
ElasticConstantsCubic_bcc_As__TE_092004514529_004
ElasticConstantsCubic_bcc_At__TE_878053469077_004
ElasticConstantsCubic_bcc_Au__TE_331337049300_004
ElasticConstantsCubic_bcc_B__TE_228893374040_004
ElasticConstantsCubic_bcc_Ba__TE_379666311497_004
ElasticConstantsCubic_bcc_Be__TE_363294479860_004
ElasticConstantsCubic_bcc_Bi__TE_875457336876_004
ElasticConstantsCubic_bcc_Bk__TE_865813425083_004
ElasticConstantsCubic_bcc_Br__TE_481234687340_004
ElasticConstantsCubic_bcc_C__TE_658794163909_004
ElasticConstantsCubic_bcc_Ca__TE_094381497019_004
ElasticConstantsCubic_bcc_Cd__TE_245682693622_004
ElasticConstantsCubic_bcc_Ce__TE_719066393063_004
ElasticConstantsCubic_bcc_Cf__TE_005027177939_004
ElasticConstantsCubic_bcc_Cl__TE_757495655517_004
ElasticConstantsCubic_bcc_Cm__TE_131687551269_004
ElasticConstantsCubic_bcc_Co__TE_124276697784_004
ElasticConstantsCubic_bcc_Cr__TE_381356414587_004
ElasticConstantsCubic_bcc_Cs__TE_579385355842_004
ElasticConstantsCubic_bcc_Cu__TE_091603841600_004
ElasticConstantsCubic_bcc_Dy__TE_611298998516_004
ElasticConstantsCubic_bcc_Er__TE_308971009798_004
ElasticConstantsCubic_bcc_Es__TE_088201230707_004
ElasticConstantsCubic_bcc_Eu__TE_892738072650_004
ElasticConstantsCubic_bcc_F__TE_078218235461_004
ElasticConstantsCubic_bcc_Fe__TE_740506315238_004
ElasticConstantsCubic_bcc_Fm__TE_130874691461_004
ElasticConstantsCubic_bcc_Fr__TE_226366312290_004
ElasticConstantsCubic_bcc_Ga__TE_243966504616_004
ElasticConstantsCubic_bcc_Gd__TE_206970109815_004
ElasticConstantsCubic_bcc_Ge__TE_059812926646_004
ElasticConstantsCubic_bcc_H__TE_632848943374_004
ElasticConstantsCubic_bcc_He__TE_683033429598_004
ElasticConstantsCubic_bcc_Hf__TE_186629138840_004
ElasticConstantsCubic_bcc_Hg__TE_824770580587_004
ElasticConstantsCubic_bcc_Ho__TE_151870607393_004
ElasticConstantsCubic_bcc_I__TE_692538709468_004
ElasticConstantsCubic_bcc_In__TE_142784119870_004
ElasticConstantsCubic_bcc_Ir__TE_257076091549_004
ElasticConstantsCubic_bcc_K__TE_398800873164_004
ElasticConstantsCubic_bcc_Kr__TE_415206433203_004
ElasticConstantsCubic_bcc_La__TE_840126501885_004
ElasticConstantsCubic_bcc_Li__TE_287233376435_004
ElasticConstantsCubic_bcc_Lr__TE_725342251612_004
ElasticConstantsCubic_bcc_Lu__TE_461861049498_004
ElasticConstantsCubic_bcc_Md__TE_139901710504_004
ElasticConstantsCubic_bcc_Mg__TE_846282364500_004
ElasticConstantsCubic_bcc_Mn__TE_176389783817_004
ElasticConstantsCubic_bcc_Mo__TE_454217749882_004
ElasticConstantsCubic_bcc_N__TE_793923119557_004
ElasticConstantsCubic_bcc_Na__TE_470376128758_004
ElasticConstantsCubic_bcc_Nb__TE_573538588728_004
ElasticConstantsCubic_bcc_Nd__TE_107415148177_004
ElasticConstantsCubic_bcc_Ne__TE_881074345360_004
ElasticConstantsCubic_bcc_Ni__TE_899101060802_004
ElasticConstantsCubic_bcc_No__TE_331909235778_004
ElasticConstantsCubic_bcc_Np__TE_526707272413_004
ElasticConstantsCubic_bcc_O__TE_703936613419_004
ElasticConstantsCubic_bcc_Os__TE_435963478279_004
ElasticConstantsCubic_bcc_P__TE_423598108018_004
ElasticConstantsCubic_bcc_Pa__TE_821482520610_004
ElasticConstantsCubic_bcc_Pb__TE_459176310372_004
ElasticConstantsCubic_bcc_Pd__TE_140814555761_004
ElasticConstantsCubic_bcc_Pm__TE_954330305049_004
ElasticConstantsCubic_bcc_Po__TE_459520205050_004
ElasticConstantsCubic_bcc_Pr__TE_779172341923_004
ElasticConstantsCubic_bcc_Pt__TE_044796406471_004
ElasticConstantsCubic_bcc_Pu__TE_285363602244_004
ElasticConstantsCubic_bcc_Ra__TE_701065673662_004
ElasticConstantsCubic_bcc_Rb__TE_948036772883_004
ElasticConstantsCubic_bcc_Re__TE_854997791323_004
ElasticConstantsCubic_bcc_Rh__TE_327322835784_004
ElasticConstantsCubic_bcc_Rn__TE_476574168445_004
ElasticConstantsCubic_bcc_Ru__TE_752281871355_004
ElasticConstantsCubic_bcc_S__TE_949083098829_004
ElasticConstantsCubic_bcc_Sb__TE_835045711917_004
ElasticConstantsCubic_bcc_Sc__TE_559263343096_004
ElasticConstantsCubic_bcc_Se__TE_570155512535_004
ElasticConstantsCubic_bcc_Si__TE_889760032150_004
ElasticConstantsCubic_bcc_Sm__TE_626047216332_004
ElasticConstantsCubic_bcc_Sn__TE_913939056748_004
ElasticConstantsCubic_bcc_Sr__TE_540367713193_004
ElasticConstantsCubic_bcc_Ta__TE_391736780667_004
ElasticConstantsCubic_bcc_Tb__TE_187783394955_004
ElasticConstantsCubic_bcc_Tc__TE_734252458467_004
ElasticConstantsCubic_bcc_Te__TE_919082915066_004
ElasticConstantsCubic_bcc_Th__TE_739931503739_004
ElasticConstantsCubic_bcc_Ti__TE_530002460811_004
ElasticConstantsCubic_bcc_Tl__TE_976607412793_004
ElasticConstantsCubic_bcc_Tm__TE_216953252202_004
ElasticConstantsCubic_bcc_U__TE_451439446123_004
ElasticConstantsCubic_bcc_V__TE_295334088960_004
ElasticConstantsCubic_bcc_W__TE_866278965431_004
ElasticConstantsCubic_bcc_Xe__TE_192748322749_004
ElasticConstantsCubic_bcc_Y__TE_434960316500_004
ElasticConstantsCubic_bcc_Yb__TE_869785662577_004
ElasticConstantsCubic_bcc_Zn__TE_286062544626_004
ElasticConstantsCubic_bcc_Zr__TE_286034503723_004
ElasticConstantsCubic_fcc_Ac__TE_337313194876_004
ElasticConstantsCubic_fcc_Ag__TE_058380161986_004
ElasticConstantsCubic_fcc_Al__TE_944469580177_004
ElasticConstantsCubic_fcc_Am__TE_119778190635_004
ElasticConstantsCubic_fcc_Ar__TE_481032490646_004
ElasticConstantsCubic_fcc_As__TE_042277951509_004
ElasticConstantsCubic_fcc_At__TE_360048230522_004
ElasticConstantsCubic_fcc_Au__TE_955259038482_004
ElasticConstantsCubic_fcc_B__TE_707916109159_004
ElasticConstantsCubic_fcc_Ba__TE_028215832804_004
ElasticConstantsCubic_fcc_Be__TE_464499566623_004
ElasticConstantsCubic_fcc_Bi__TE_297222389470_004
ElasticConstantsCubic_fcc_Bk__TE_957044623765_004
ElasticConstantsCubic_fcc_Br__TE_620132153671_004
ElasticConstantsCubic_fcc_C__TE_000146156270_004
ElasticConstantsCubic_fcc_Ca__TE_116005237822_004
ElasticConstantsCubic_fcc_Cd__TE_833871902473_004
ElasticConstantsCubic_fcc_Ce__TE_814183177379_004
ElasticConstantsCubic_fcc_Cf__TE_337193364372_004
ElasticConstantsCubic_fcc_Cl__TE_599417877194_004
ElasticConstantsCubic_fcc_Cm__TE_091014215486_004
ElasticConstantsCubic_fcc_Co__TE_927061832654_004
ElasticConstantsCubic_fcc_Cr__TE_839149748370_004
ElasticConstantsCubic_fcc_Cs__TE_285737330496_004
ElasticConstantsCubic_fcc_Cu__TE_188557531340_004
ElasticConstantsCubic_fcc_Dy__TE_013154787301_004
ElasticConstantsCubic_fcc_Er__TE_445809890516_004
ElasticConstantsCubic_fcc_Es__TE_654391295555_004
ElasticConstantsCubic_fcc_Eu__TE_119418559435_004
ElasticConstantsCubic_fcc_F__TE_971153157533_004
ElasticConstantsCubic_fcc_Fe__TE_943136713920_004
ElasticConstantsCubic_fcc_Fm__TE_666468176999_004
ElasticConstantsCubic_fcc_Fr__TE_664589394445_004
ElasticConstantsCubic_fcc_Ga__TE_969656214004_004
ElasticConstantsCubic_fcc_Gd__TE_747986600731_004
ElasticConstantsCubic_fcc_Ge__TE_073750939631_004
ElasticConstantsCubic_fcc_H__TE_627409417266_004
ElasticConstantsCubic_fcc_He__TE_137885203949_004
ElasticConstantsCubic_fcc_Hf__TE_957101108407_004
ElasticConstantsCubic_fcc_Hg__TE_828407621313_004
ElasticConstantsCubic_fcc_Ho__TE_063650088650_004
ElasticConstantsCubic_fcc_I__TE_036503559424_004
ElasticConstantsCubic_fcc_In__TE_739086745005_004
ElasticConstantsCubic_fcc_Ir__TE_888346807919_004
ElasticConstantsCubic_fcc_K__TE_577629158683_004
ElasticConstantsCubic_fcc_Kr__TE_326558182660_004
ElasticConstantsCubic_fcc_La__TE_254237019255_004
ElasticConstantsCubic_fcc_Li__TE_286461032303_004
ElasticConstantsCubic_fcc_Lr__TE_342825499241_004
ElasticConstantsCubic_fcc_Lu__TE_506230414647_004
ElasticConstantsCubic_fcc_Md__TE_277441026582_004
ElasticConstantsCubic_fcc_Mg__TE_621868562408_004
ElasticConstantsCubic_fcc_Mn__TE_617003407398_004
ElasticConstantsCubic_fcc_Mo__TE_425639580159_004
ElasticConstantsCubic_fcc_N__TE_320719669104_004
ElasticConstantsCubic_fcc_Na__TE_857617182965_004
ElasticConstantsCubic_fcc_Nb__TE_469360588612_004
ElasticConstantsCubic_fcc_Nd__TE_780078878375_004
ElasticConstantsCubic_fcc_Ne__TE_136546639367_004
ElasticConstantsCubic_fcc_Ni__TE_077792808740_004
ElasticConstantsCubic_fcc_No__TE_648109002704_004
ElasticConstantsCubic_fcc_Np__TE_109667734803_004
ElasticConstantsCubic_fcc_O__TE_856088776494_004
ElasticConstantsCubic_fcc_Os__TE_626573146356_004
ElasticConstantsCubic_fcc_P__TE_329109115138_004
ElasticConstantsCubic_fcc_Pa__TE_697223897645_004
ElasticConstantsCubic_fcc_Pb__TE_131795349970_004
ElasticConstantsCubic_fcc_Pd__TE_072068804815_004
ElasticConstantsCubic_fcc_Pm__TE_683228697749_004
ElasticConstantsCubic_fcc_Po__TE_970892570632_004
ElasticConstantsCubic_fcc_Pr__TE_095050139811_004
ElasticConstantsCubic_fcc_Pt__TE_304169980530_004
ElasticConstantsCubic_fcc_Pu__TE_895696873649_004
ElasticConstantsCubic_fcc_Ra__TE_289088224878_004
ElasticConstantsCubic_fcc_Rb__TE_197224095763_004
ElasticConstantsCubic_fcc_Re__TE_664333543401_004
ElasticConstantsCubic_fcc_Rh__TE_076949171047_004
ElasticConstantsCubic_fcc_Rn__TE_899784569589_004
ElasticConstantsCubic_fcc_Ru__TE_635604354663_004
ElasticConstantsCubic_fcc_S__TE_711736518885_004
ElasticConstantsCubic_fcc_Sb__TE_170170638439_004
ElasticConstantsCubic_fcc_Sc__TE_004628702087_004
ElasticConstantsCubic_fcc_Se__TE_865715510467_004
ElasticConstantsCubic_fcc_Si__TE_339596435822_004
ElasticConstantsCubic_fcc_Sm__TE_699104058610_004
ElasticConstantsCubic_fcc_Sn__TE_280783391242_004
ElasticConstantsCubic_fcc_Sr__TE_211864771729_004
ElasticConstantsCubic_fcc_Ta__TE_942617312586_004
ElasticConstantsCubic_fcc_Tb__TE_026963229164_004
ElasticConstantsCubic_fcc_Tc__TE_608879214189_004
ElasticConstantsCubic_fcc_Te__TE_179694729708_004
ElasticConstantsCubic_fcc_Th__TE_615516307730_004
ElasticConstantsCubic_fcc_Ti__TE_944384516355_004
ElasticConstantsCubic_fcc_Tl__TE_088187082651_004
ElasticConstantsCubic_fcc_Tm__TE_173910274183_004
ElasticConstantsCubic_fcc_U__TE_287932658059_004
ElasticConstantsCubic_fcc_User01__TE_370191842345_000
ElasticConstantsCubic_fcc_V__TE_392276771114_004
ElasticConstantsCubic_fcc_W__TE_107628130267_004
ElasticConstantsCubic_fcc_Xe__TE_978199051346_004
ElasticConstantsCubic_fcc_Y__TE_049819885043_004
ElasticConstantsCubic_fcc_Yb__TE_483229201936_004
ElasticConstantsCubic_fcc_Zn__TE_912900439421_004
ElasticConstantsCubic_fcc_Zr__TE_026250508553_004
ElasticConstantsCubic_sc_Ac__TE_877992095712_004
ElasticConstantsCubic_sc_Ag__TE_042440763055_004
ElasticConstantsCubic_sc_Al__TE_566227372929_004
ElasticConstantsCubic_sc_Am__TE_450877207457_004
ElasticConstantsCubic_sc_Ar__TE_759762809167_004
ElasticConstantsCubic_sc_As__TE_207430109728_004
ElasticConstantsCubic_sc_At__TE_795408871899_004
ElasticConstantsCubic_sc_Au__TE_292034176243_004
ElasticConstantsCubic_sc_B__TE_342440086073_004
ElasticConstantsCubic_sc_Ba__TE_788271286509_004
ElasticConstantsCubic_sc_Be__TE_840938621057_004
ElasticConstantsCubic_sc_Bi__TE_729094717582_004
ElasticConstantsCubic_sc_Bk__TE_668648525256_004
ElasticConstantsCubic_sc_Br__TE_849427400581_004
ElasticConstantsCubic_sc_C__TE_994329625827_004
ElasticConstantsCubic_sc_Ca__TE_359718686305_004
ElasticConstantsCubic_sc_Cd__TE_828237696373_004
ElasticConstantsCubic_sc_Ce__TE_934185910837_004
ElasticConstantsCubic_sc_Cf__TE_660881440207_004
ElasticConstantsCubic_sc_Cl__TE_619030766296_004
ElasticConstantsCubic_sc_Cm__TE_977137921880_004
ElasticConstantsCubic_sc_Co__TE_645150076707_004
ElasticConstantsCubic_sc_Cr__TE_755073403781_004
ElasticConstantsCubic_sc_Cs__TE_174709371149_004
ElasticConstantsCubic_sc_Cu__TE_319353354686_004
ElasticConstantsCubic_sc_Dy__TE_668791422145_004
ElasticConstantsCubic_sc_Er__TE_379541472453_004
ElasticConstantsCubic_sc_Es__TE_250227488334_004
ElasticConstantsCubic_sc_Eu__TE_188208281262_004
ElasticConstantsCubic_sc_F__TE_747098354436_004
ElasticConstantsCubic_sc_Fe__TE_828391579283_004
ElasticConstantsCubic_sc_Fm__TE_296483990283_004
ElasticConstantsCubic_sc_Fr__TE_988960946464_004
ElasticConstantsCubic_sc_Ga__TE_059461528966_004
ElasticConstantsCubic_sc_Gd__TE_798413012692_004
ElasticConstantsCubic_sc_Ge__TE_227379658057_004
ElasticConstantsCubic_sc_H__TE_648951261715_004
ElasticConstantsCubic_sc_He__TE_372278391832_004
ElasticConstantsCubic_sc_Hf__TE_741745912391_004
ElasticConstantsCubic_sc_Hg__TE_809928444793_004
ElasticConstantsCubic_sc_Ho__TE_983059368217_004
ElasticConstantsCubic_sc_I__TE_847841099173_004
ElasticConstantsCubic_sc_In__TE_258661831030_004
ElasticConstantsCubic_sc_Ir__TE_707478894007_004
ElasticConstantsCubic_sc_K__TE_548602594961_004
ElasticConstantsCubic_sc_Kr__TE_603773082475_004
ElasticConstantsCubic_sc_La__TE_042675762703_004
ElasticConstantsCubic_sc_Li__TE_589428389686_004
ElasticConstantsCubic_sc_Lr__TE_010842728087_004
ElasticConstantsCubic_sc_Lu__TE_939974419140_004
ElasticConstantsCubic_sc_Md__TE_105270031641_004
ElasticConstantsCubic_sc_Mg__TE_777461579632_004
ElasticConstantsCubic_sc_Mn__TE_786191422713_004
ElasticConstantsCubic_sc_Mo__TE_959738251850_004
ElasticConstantsCubic_sc_N__TE_205493877097_004
ElasticConstantsCubic_sc_Na__TE_133927955579_004
ElasticConstantsCubic_sc_Nb__TE_197120067158_004
ElasticConstantsCubic_sc_Nd__TE_051445461647_004
ElasticConstantsCubic_sc_Ne__TE_649578776881_004
ElasticConstantsCubic_sc_Ni__TE_667647618175_004
ElasticConstantsCubic_sc_No__TE_975621224609_004
ElasticConstantsCubic_sc_Np__TE_969761406575_004
ElasticConstantsCubic_sc_O__TE_538486289758_004
ElasticConstantsCubic_sc_Os__TE_302211032525_004
ElasticConstantsCubic_sc_P__TE_446564879193_004
ElasticConstantsCubic_sc_Pa__TE_843686272532_004
ElasticConstantsCubic_sc_Pb__TE_728987789416_004
ElasticConstantsCubic_sc_Pd__TE_671746005240_004
ElasticConstantsCubic_sc_Pm__TE_616609521732_004
ElasticConstantsCubic_sc_Po__TE_863497212233_004
ElasticConstantsCubic_sc_Pr__TE_005292031021_004
ElasticConstantsCubic_sc_Pt__TE_076340850633_004
ElasticConstantsCubic_sc_Pu__TE_419729545470_004
ElasticConstantsCubic_sc_Ra__TE_148288250717_004
ElasticConstantsCubic_sc_Rb__TE_990069293038_004
ElasticConstantsCubic_sc_Re__TE_579004156439_004
ElasticConstantsCubic_sc_Rh__TE_066588707080_004
ElasticConstantsCubic_sc_Rn__TE_393774451542_004
ElasticConstantsCubic_sc_Ru__TE_675282491689_004
ElasticConstantsCubic_sc_S__TE_258290086299_004
ElasticConstantsCubic_sc_Sb__TE_852524536290_004
ElasticConstantsCubic_sc_Sc__TE_835353995559_004
ElasticConstantsCubic_sc_Se__TE_879795182655_004
ElasticConstantsCubic_sc_Si__TE_231662421461_004
ElasticConstantsCubic_sc_Sm__TE_884540939518_004
ElasticConstantsCubic_sc_Sn__TE_001540855271_004
ElasticConstantsCubic_sc_Sr__TE_528260714382_004
ElasticConstantsCubic_sc_Ta__TE_190221086877_004
ElasticConstantsCubic_sc_Tb__TE_498526430367_004
ElasticConstantsCubic_sc_Tc__TE_512737518036_004
ElasticConstantsCubic_sc_Te__TE_102118023190_004
ElasticConstantsCubic_sc_Th__TE_944093460691_004
ElasticConstantsCubic_sc_Ti__TE_457585945605_004
ElasticConstantsCubic_sc_Tl__TE_815837744860_004
ElasticConstantsCubic_sc_Tm__TE_517628405104_004
ElasticConstantsCubic_sc_U__TE_973748503699_004
ElasticConstantsCubic_sc_V__TE_433971648922_004
ElasticConstantsCubic_sc_W__TE_403249981369_004
ElasticConstantsCubic_sc_Xe__TE_267995401711_004
ElasticConstantsCubic_sc_Y__TE_846999465998_004
ElasticConstantsCubic_sc_Yb__TE_006840472907_004
ElasticConstantsCubic_sc_Zn__TE_617347691220_004
ElasticConstantsCubic_sc_Zr__TE_103738020637_004


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