{ "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" 3.190829627215862 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.190829627215862e-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 -2 ] } "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" [ -0.8693458991311414 -0.2777761162079646 0.06181779183127456 0.3031587818804894 0.8818970504332522 1.2319924859651892 1.4841165643797771 1.686452732417587 1.8498720008939291 ] "source-std-uncert-value" [ 0.010704252505276636 0.022872539424784344 0.022613726300869396 0.022265306757292217 0.017031002903228506 0.013756634029899212 0.019254769507974348 0.02525616625426706 0.03832605808454009 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.392845686451635e-19 -4.450464028716695e-20 9.904302163754416e-21 4.857139167208227e-20 1.412954847797676e-19 1.973869574276999e-19 2.377816881581635e-19 2.701995162224912e-19 2.96382169572308e-19 ] } "core-energy-isotropic" { "source-value" [ -0.8696321794692871 -0.2900781806859979 0.04893917574448139 0.2894758180959133 0.8690298168782521 1.2080471733095675 1.4485838156617503 1.6351585303732328 1.7876011720910032 ] "source-std-uncert-value" [ 0.010837169468829644 0.01083716946904379 0.010837169468919506 0.01083716946877422 0.010837169468837898 0.010837169469808297 0.010837169469499289 0.010837169468368334 0.010837169469373494 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.393304358120186e-19 -4.647564831283359e-20 7.840920386502763e-21 4.637913918613066e-20 1.392339266851634e-19 1.935504953846337e-19 2.320887141843819e-19 2.619812790249772e-19 2.864052828835218e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.8809022870820029 -0.29895472387382815 0.041462777952848806 0.28299283931325236 0.8649404025031665 1.2053579043557616 1.4468879657029265 1.6342332360479612 1.7873054675513518 ] "source-std-uncert-value" [ 0.021970368617093516 0.02197036862490916 0.02197036863333505 0.02197036862246625 0.021970368601471505 0.02197036861845474 0.02197036861470058 0.021970368615742104 0.0219703686193503 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.411361061199945e-19 -4.789782732145694e-20 6.643069401678471e-21 4.534045147370095e-20 1.385787302693128e-19 1.931196269966008e-19 2.318170090665022e-19 2.61833030530225e-19 2.863579057931221e-19 ] } }