{ "property-id" "tag:staff@noreply.openkim.org,2021-02-24:property/dislocation-core-energy-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "W" "W" ] } "a" { "source-value" 3.16519995033741 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.16519995033741e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-3m" } "cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "slip-plane-miller-indices" { "source-value" [ -1 1 0 ] } "dislocation-line-direction" { "source-value" [ 1 1 4 ] } "burgers-vector-direction" { "source-value" [ 0.5 0.5 0.5 ] } "dislocation-core-radius" { "source-value" [ 0.25 0.5 0.75 1.0 2.0 3.0 4.0 5.0 6.0 ] } "core-energy-nonsingular" { "source-value" [ -0.7718344823116517 -0.30670216334328915 -0.03455692335780958 0.15859714375829387 0.6245574031490402 0.8980564581255497 1.0930523841870312 1.245219605445819 1.370220333805801 ] "source-std-uncert-value" [ 0.0013387190986856286 0.0013654488067346288 0.0014099322521927433 0.0014720637453739104 0.0018929803906408823 0.0025723446788860904 0.0034747547189224503 0.0045528051870658915 0.006415571272833455 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.236615172875215e-19 -4.913910397058692e-20 -5.536629514681132e-21 2.541006379486774e-20 1.00065127791711e-19 1.438845073221555e-19 1.751262989682452e-19 1.99506175604399e-19 2.195335002255335e-19 ] } "core-energy-isotropic" { "source-value" [ -0.5740140161469889 -0.10893751650362749 0.16311479575358218 0.3561389831387573 0.8212154827805929 1.09326779503794 1.2862919824226955 1.436013173929614 1.558344294680691 ] "source-std-uncert-value" [ 0.0013298028011389555 0.001329802800662703 0.0013298028002496321 0.001329802799695789 0.0013298028003654483 0.0013298028004938536 0.0013298027999982924 0.0013298027996897696 0.0013298028004724853 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -9.196718442592043e-20 -1.745371435081013e-20 2.613387144160718e-20 5.705975572414369e-20 1.315732257990095e-19 1.751608115914488e-19 2.060866958739181e-19 2.300746753386205e-19 2.496742816664613e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.5970127781651489 -0.12907209277086307 0.1446556607506606 0.3388685926241255 0.8068092780186876 1.0805370315376888 1.274749963410893 1.4253932167814556 1.548477716931463 ] "source-std-uncert-value" [ 0.0024049063882482977 0.0024049063855947953 0.0024049063882810376 0.0024049063865763404 0.0024049063875971103 0.002404906384804943 0.0024049063867580068 0.002404906386699776 0.0024049063867701654 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -9.565199233756268e-20 -2.067962911389571e-20 2.317639196305393e-20 5.429273410988386e-20 1.292650973335951e-19 1.731211184101406e-19 2.042374605569287e-19 2.283731706189345e-19 2.480934816337256e-19 ] } }