{ "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" [ 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" [ -0.4642137771963869 -0.039262647245124294 0.20937416882850668 0.38584384538013433 0.8115375019717053 1.0612875003228308 1.2390723235225036 1.3773250154494943 1.490364733891982 ] "source-std-uncert-value" [ 0.0027689775311378487 0.0027921071847887653 0.0028302283903039304 0.0028827041149679902 0.0032150972445549653 0.0036681868659793316 0.004109973367658862 0.004389600843939571 0.0043620663429552245 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -7.43752467004933e-20 -6.290569600512261e-21 3.354544010602045e-20 6.1818999344076e-20 1.300226423273795e-19 1.700370034973507e-19 1.985212724583844e-19 2.206717957176869e-19 2.387827552779361e-19 ] } "core-energy-isotropic" { "source-value" [ -0.20305078195335413 0.22184778293365603 0.4703975100030514 0.6467463478196904 1.071644912706439 1.3201946397770103 1.4965434775939106 1.633330263108042 1.7450932046632448 ] "source-std-uncert-value" [ 0.0027612246763767494 0.0027612246771009583 0.0027612246772505634 0.002761224677599918 0.0027612246767127076 0.0027612246772876783 0.0027612246776077564 0.0027612246776919022 0.002761224677043271 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -3.253232183610929e-20 3.554393341210077e-20 7.536598992186702e-20 1.036201886601545e-19 1.716964439083226e-19 2.115185004182773e-19 2.397726991566066e-19 2.616883583156777e-19 2.79594755666363e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.203666883017125 0.2213272858704699 0.4699329377031594 0.6463214547641893 1.0713156236546504 1.3199212754843173 1.4963097925471447 1.6331273556721086 1.744915444378544 ] "source-std-uncert-value" [ 0.0027940959475831286 0.002794095951697432 0.002794095946920059 0.0027940959501237504 0.0027940959503937432 0.0027940959529986456 0.002794095947080558 0.002794095953202065 0.0027940959542908706 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -3.26310321089649e-20 3.546054058883052e-20 7.529155723349796e-20 1.035521132876072e-19 1.716436859858618e-19 2.11474702630045e-19 2.397352586844423e-19 2.61655848960406e-19 2.79566275328903e-19 ] } }