{ "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" 3.190829664468765 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.190829664468765e-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" [ -0.6906507419583164 -0.2553413536420708 -0.0006611604557159589 0.18007978004577735 0.6159230916900544 0.8714035162522434 1.0530904938078967 1.1944098467679973 1.3099329332439424 ] "source-std-uncert-value" [ 0.003953544546050638 0.003921979295271472 0.0038698707419058537 0.0037979633990830202 0.0033370149459781588 0.002687800822913478 0.0020118612919727734 0.0015982240881063624 0.0013721205403778955 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.106544481020378e-19 -4.091019504992565e-20 -1.059295833472901e-22 2.885196158452039e-20 9.868175858468447e-20 1.396142352524784e-19 1.687236982666534e-19 1.913655547911206e-19 2.098743937750526e-19 ] } "core-energy-isotropic" { "source-value" [ -0.42313240360569493 0.012139172772321793 0.26675672258455424 0.44741074915171314 0.882682325530926 1.1372998753418018 1.3179539019094606 1.458080051252132 1.5725714517223799 ] "source-std-uncert-value" [ 0.0039641164804438975 0.003964116481900263 0.003964116480652612 0.003964116481324416 0.003964116480745434 0.003964116481472659 0.003964116481166851 0.0039641164812532865 0.003964116480941536 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -6.779328501453017e-20 1.944909897190298e-21 4.273913878873929e-20 7.168310480913101e-20 1.414212997210431e-19 1.822155286123747e-19 2.111594946328466e-19 2.336101788617688e-19 2.519537235245056e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.4333568232111453 0.0033952667289632865 0.25887886145308686 0.44014735666744986 0.8768994466055445 1.1323830413319993 1.3136515365444832 1.4542543047971743 1.5691351312700583 ] "source-std-uncert-value" [ 0.0030466274493788238 0.0030466274488420713 0.003046627448123729 0.0030466274494936906 0.0030466274497380308 0.00304662744959607 0.003046627447661924 0.0030466274494147525 0.0030466274495058667 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -6.943141763333659e-20 5.439817019342588e-22 4.14769662856659e-20 7.051938103694523e-20 1.404947803718934e-19 1.814277649559985e-19 2.104701797069768e-19 2.329972267039947e-19 2.51403164290941e-19 ] } }