{ "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" 3.164720326662064 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.164720326662064e-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 6 ] } "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" [ -0.4975065522551638 0.005059703384509007 0.29908560976294546 0.5077465175705106 1.0109130645126154 1.3058187618849422 1.5159590678385477 1.6795829245064808 1.8129790569766175 ] "source-std-uncert-value" [ 0.005664033990701024 0.0056436154956388375 0.0056096226536744166 0.0055621125082339915 0.0052388484459464715 0.005045155081390179 0.003991068805927353 0.003107129694863743 0.0012894873740160913 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -7.970933732851234e-20 8.106538537631047e-22 4.791879755278334e-20 8.134996064463424e-20 1.619661290967447e-19 2.092152308530864e-19 2.428834196591342e-19 2.690988516509669e-19 2.904712683019291e-19 ] } "core-energy-isotropic" { "source-value" [ -0.3221368175785826 0.1803891960985946 0.4743480697344018 0.6829152097742609 1.1854412234504483 1.479400097089717 1.6879672371277625 1.8497444793427704 1.9819261107651631 ] "source-std-uncert-value" [ 0.005670843950616337 0.005670843951723641 0.005670843953207816 0.005670843950575644 0.005670843951765727 0.0056708439508883065 0.005670843950256976 0.005670843951797531 0.005670843951801851 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -5.161200820755254e-20 2.890153550152122e-20 7.59989393711461e-20 1.094150792103529e-19 1.899286229192681e-19 2.370260267894476e-19 2.704421666283638e-19 2.963617383673482e-19 3.17539570498244e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.45790450058235554 0.060105038942954006 0.3631211945858037 0.5781145784728937 1.0961241180038568 1.3991402736426348 1.6141336575330034 1.7808954817257778 1.9171498131724014 ] "source-std-uncert-value" [ 0.00024776291548824744 0.00024776291289463896 0.00024776291468004905 0.0002477629140295066 0.0002477629152636028 0.00024776291322584906 0.0002477629140079345 0.00024776291393244 0.00024776291521880564 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -7.336438914364894e-20 9.629888898006097e-21 5.817842932755419e-20 9.262416694040296e-20 1.756184449829638e-19 2.241669854118595e-19 2.586127230252336e-19 2.853309128417215e-19 3.071612634542287e-19 ] } }