{ "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" 3.164720326662064 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.164720326662064e-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" [ -0.4881748809739678 0.05055492078279389 0.3657909636215505 0.5895599799839617 1.1296593977927942 1.4466727972316633 1.6741718462680268 1.8529766487707633 2.0008139486086067 ] "source-std-uncert-value" [ 0.00308270456558734 0.0030532530528541877 0.003004245849733906 0.0029358020823166946 0.00247188366458777 0.0024031821177037654 0.0012269695372838195 0.0033208446652503534 0.0066866703016052595 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -7.821423876022223e-20 8.099791281191335e-21 5.860617348427922e-20 9.44579224271811e-20 1.809913891522126e-19 2.317825352767991e-19 2.682319013391273e-19 2.968795890008141e-19 3.205657357441986e-19 ] } "core-energy-isotropic" { "source-value" [ -0.38407177796726344 0.1545661224262892 0.46964909562291857 0.6932040228187375 1.2318419232131514 1.5469248964122322 1.7704798236077088 1.9438824967150088 2.085562796805663 ] "source-std-uncert-value" [ 0.0030925295716810936 0.003092529569785145 0.003092529571141486 0.0030925295704527 0.0030925295707517754 0.00309252957016191 0.0030925295707449154 0.0030925295712182213 0.0030925295702218117 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -6.153508284379855e-20 2.476422297593839e-20 7.524608071862717e-20 1.110635287954984e-19 1.973628346153733e-19 2.478446923584549e-19 2.836621404352712e-19 3.114443115478369e-19 3.341439981781723e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.517589501343631 0.03667596590330369 0.36090047969252625 0.5909414331549784 1.1452069004095988 1.4694314141999556 1.6994723676655537 1.8779059935993736 2.0236968814522758 ] "source-std-uncert-value" [ 0.0004776791938044416 0.0004776791938378231 0.0004776791932518721 0.00047767919451646734 0.0004776791955534238 0.00047767919481935006 0.00047767919411342065 0.000477679194078761 0.00047767919471124035 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -8.292698050564772e-20 5.876137559965387e-21 5.78226315762757e-20 9.467925562633793e-20 1.834823736931824e-19 2.354288677096745e-19 2.722854917602407e-19 3.00873710379347e-19 3.242319857761504e-19 ] } }