{ "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" 3.1433900296688084 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.143390029668809e-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" [ 2 2 -1 ] } "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" [ -0.15029240509932107 0.36457817586666497 0.6658683120088202 0.8797539305595968 1.396137713024578 1.6999028101100935 1.917157500228979 2.0873544317799753 2.2280002847333003 ] "source-std-uncert-value" [ 0.015263569289647009 0.015346029463850209 0.0154832115829369 0.01567473927038396 0.016971615124920385 0.019070286246568847 0.021880607284864455 0.025284516451708126 0.02914358072884124 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -2.407949797177946e-20 5.841186346399133e-20 1.066838650821553e-19 1.409521191212244e-19 2.236859221654176e-19 2.723544562429331e-19 3.071624950564719e-19 3.344310497474223e-19 3.56964999674504e-19 ] } "core-energy-isotropic" { "source-value" [ -0.05191208278011239 0.4628564897216869 0.7639768011842978 0.9776250622245839 1.4923936347270161 1.7935139461910836 2.007162207230483 2.1728806730849195 2.3082825186948246 ] "source-std-uncert-value" [ 0.015236057385629656 0.0152360573884438 0.015236057389025831 0.015236057388326878 0.01523605738822141 0.015236057388464664 0.015236057387411978 0.015236057387758344 0.01523605738840783 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -8.317232605256983e-21 7.415778527273478e-20 1.224025779775545e-19 1.566328031509024e-19 2.391078210289956e-19 2.873526137340487e-19 3.215828389072546e-19 3.481338642886851e-19 3.698276316123516e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.06555730378882263 0.4500742316240527 0.7516993440282449 0.9657057670389606 1.4813373024500167 1.782962414861279 1.9969688378667212 2.162965115727431 2.2985939502725694 ] "source-std-uncert-value" [ 0.009401076799907832 0.009401076799618865 0.009401076799450039 0.009401076801519236 0.009401076800561743 0.009401076797339392 0.00940107679774016 0.009401076798296333 0.009401076800787174 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.050343803184913e-20 7.210984174735611e-20 1.204355124795181e-19 1.54723121526887e-19 2.373364013058008e-19 2.856620720390956e-19 3.199496810856195e-19 3.465452168575595e-19 3.682753518180468e-19 ] } }