{ "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" 3.139999896287918 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.139999896287918e-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" [ -0.5243686338319705 -0.11083190024085869 0.13107651139316284 0.30271846477748304 0.7163396053497768 0.9583376990593583 1.130136470227997 1.2634469576343825 1.3723962296780117 ] "source-std-uncert-value" [ 0.0002592437750142099 0.0002578381081776994 0.0002555161904125793 0.00025230929404221477 0.0002187018547777699 0.00018503748222187087 0.00016682884461487825 0.0001647050784943787 0.00015983739188836442 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -8.40131172728085e-20 -1.775722808677228e-20 2.100077238203603e-20 4.850084509468353e-20 1.147702577700194e-19 1.535426268914228e-19 1.810678245830533e-19 2.024265193820195e-19 2.198821171779807e-19 ] } "core-energy-isotropic" { "source-value" [ -0.2420646946894262 0.17146745950886705 0.41336826255760933 0.5849996137061696 0.9985317679050871 1.2404325709526087 1.4120639221019764 1.5451915406783878 1.6539647251510174 ] "source-std-uncert-value" [ 0.00025971441505848755 0.00025971441519589386 0.00025971441529359224 0.0002597144160143809 0.0002597144150300784 0.00025971441585790944 0.00025971441599088543 0.00025971441590607637 0.0002597144155673876 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -3.878303977477425e-20 2.747211571164479e-20 6.622889715069787e-20 9.37272711979051e-20 1.599824266844242e-19 1.987392081232817e-19 2.262375821706182e-19 2.475669781529373e-19 2.649943636097192e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.2426498025957211 0.17096503420547293 0.41291420347524915 0.5845798710048815 0.9981947078033627 1.2401438770735802 1.411809544602008 1.5449637810306314 1.653758713871774 ] "source-std-uncert-value" [ 0.00024003141311245986 0.00024003140895473778 0.00024003141268573309 0.0002400314139085196 0.00024003141443959864 0.00024003141201221504 0.00024003141476670154 0.00024003141266514376 0.0002400314125666121 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -3.887678439635769e-20 2.739161830350195e-20 6.615614886547658e-20 9.366002100307552e-20 1.599284237025005e-19 1.986929542645458e-19 2.261968264019518e-19 2.47530487034357e-19 2.649613569639248e-19 ] } }