{ "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" 3.165200009942055 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.165200009942056e-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 5 ] } "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" [ -0.3790145017295851 0.07439470155706467 0.3396406355979969 0.5278553186129199 0.9815200261778744 1.247185932882035 1.43597641188092 1.5820397462350955 1.7021196123534843 ] "source-std-uncert-value" [ 0.002013229098878173 0.0020182732407451626 0.0020266969867786862 0.0020385245430421055 0.002120579957493363 0.0022600570220464326 0.0024580966434878198 0.0024810895902277414 0.0027349609593076787 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -6.072481786182939e-20 1.191934525281324e-20 5.441642903120192e-20 8.457174576142455e-20 1.572568451745259e-19 1.998212159917089e-19 2.30068785409077e-19 2.534707115477159e-19 2.72709627118589e-19 ] } "core-energy-isotropic" { "source-value" [ -0.1289484155819114 0.3244436148861401 0.5896609508362315 0.7778356453540178 1.2312276758227882 1.4964450117729047 1.6846197062911001 1.83057933889805 1.9498370422412103 ] "source-std-uncert-value" [ 0.0020115494337485003 0.0020115494343467986 0.0020115494347072 0.0020115494336505075 0.0020115494348911427 0.0020115494341046937 0.0020115494347722816 0.002011549433724664 0.0020115494344253378 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -2.065981384366599e-20 5.198159788210682e-20 9.447409974120328e-20 1.246230096078518e-19 1.972644213337398e-19 2.397569231928403e-19 2.699058330595543e-19 2.932911443465623e-19 3.123983349186538e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.1309114420071785 0.3227291898240728 0.5880919482541017 0.7763698216630237 1.230010453488841 1.4953732119075704 1.6836510853231352 1.8296907496902683 1.9490138437453879 ] "source-std-uncert-value" [ 0.0020621242844419104 0.0020621242776698895 0.002062124280416525 0.0020621242856630004 0.002062124278895554 0.002062124283590336 0.0020621242841435956 0.002062124278290234 0.0020621242786112996 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -2.097432535071474e-20 5.1706916704588e-20 9.422271781362588e-20 1.243881587611244e-19 1.970694008155565e-19 2.39585201922784e-19 2.697506428713468e-19 2.93148776659969e-19 3.122664439791387e-19 ] } }