{ "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" 3.1638794839382167 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.163879483938217e-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 3 ] } "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" [ -0.6478742348550348 -0.21806889427153897 0.03335732950371306 0.2117536202520703 0.6416421838457597 0.8931972503905236 1.0717537036019482 1.2103076952607956 1.323542021566993 ] "source-std-uncert-value" [ 0.0013594057145445595 0.0013571666571993962 0.0013534684164945709 0.0013483609347832615 0.0013154983643533216 0.0012687465661501412 0.0012188439545197946 0.0011785736148308915 0.0011616887160372797 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.038008960855365e-19 -3.493848870040761e-20 5.344433390348788e-21 3.392667025327762e-20 1.028024114346408e-19 1.431059764128744e-19 1.717138741314003e-19 1.939126709297239e-19 2.12054810107176e-19 ] } "core-energy-isotropic" { "source-value" [ -0.35442813673390244 0.07537141998509966 0.32678804349195434 0.5051709767057698 0.9349705334267338 1.186387156934176 1.3647700901472863 1.5031346426256524 1.6161867136554102 ] "source-std-uncert-value" [ 0.0013601554277342237 0.0013601554279345433 0.0013601554283855508 0.001360155428089374 0.0013601554284055823 0.0013601554273075214 0.001360155428030473 0.0013601554279943965 0.0013601554275677783 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -5.678564791072155e-20 1.207583279715273e-20 5.23572167553385e-20 8.093731350529426e-20 1.497987942134829e-19 1.900801781717628e-19 2.186602749216056e-19 2.408287202170761e-19 2.589416588799947e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.3493550770023964 0.0797839045840194 0.3308141164095699 0.5089228861697532 0.9380618677558312 1.189092079581202 1.3672008493414645 1.5053527441257886 1.6182310611675572 ] "source-std-uncert-value" [ 0.0022638531605351157 0.0022638531602975926 0.002263853159934403 0.0022638531600446565 0.0022638531601046246 0.002263853160386342 0.0022638531602349535 0.002263853160278206 0.002263853160597329 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -5.597285413425102e-20 1.278279076938014e-20 5.300226475087689e-20 8.153843567290204e-20 1.502940805764791e-19 1.90513554557947e-19 2.190497254799849e-19 2.411840992566119e-19 2.592691994615685e-19 ] } }