{ "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" 3.1399998813867573 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.139999881386758e-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 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" [ -0.5820334382550999 -0.17470118297870607 0.06357275703580273 0.23263045424067397 0.6399523096579145 0.8781820638768612 1.0471242015915907 1.1780202865634162 1.2847534407745393 ] "source-std-uncert-value" [ 0.00127217451122406 0.0012722186067961193 0.0012724093785561415 0.0012729217557292585 0.0012840226151805568 0.0013309343972937194 0.0014527121420395172 0.0016975960199229812 0.0021176487937508612 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -9.325203749790028e-20 -2.799021533006414e-20 1.018547858817222e-20 3.72715078141214e-20 1.025316637408243e-19 1.407002783141402e-19 1.677677928685952e-19 1.887396577509889e-19 2.05840194326007e-19 ] } "core-energy-isotropic" { "source-value" [ -0.28820529335372014 0.11912700323980302 0.357401122078674 0.5264592998324578 0.9337915964261312 1.1720657152648184 1.3411238930189446 1.4722556032464675 1.579398011858659 ] "source-std-uncert-value" [ 0.0012721715695186218 0.0012721715687473234 0.0012721715684562965 0.001272171569140598 0.0012721715700017852 0.0012721715687524279 0.001272171569421545 0.0012721715695594026 0.001272171569394406 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -4.617557868064459e-20 1.908625010692547e-20 5.72619726759833e-20 8.434807889435639e-20 1.496099076819505e-19 1.877856302509789e-19 2.148717364694069e-19 2.358813526797065e-19 2.530474590385998e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.2886741166131036 0.11873339990986226 0.35705151958759895 0.5261409164314358 0.9335484329542514 1.1718665526310164 1.3409559494758416 1.4721118751133173 1.5792740691528628 ] "source-std-uncert-value" [ 0.0012456645222406412 0.0012456645226123103 0.0012456645230687438 0.0012456645224786552 0.0012456645219188851 0.0012456645224382232 0.0012456645221605152 0.001245664522143447 0.0012456645227588235 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -4.625069244781058e-20 1.90231879010959e-20 5.720596018174443e-20 8.429706824977931e-20 1.495709485986617e-19 1.877537208791545e-19 2.148448289473478e-19 2.358583248940483e-19 2.530276012278817e-19 ] } }