{ "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" 3.165199972689152 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.165199972689153e-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" [ -0.9235428866602536 -0.4910949554516604 -0.238119607429142 -0.05862090633127117 0.37757945061241355 0.6307101915029357 0.8103461155531082 0.9496383843289893 1.0633133518817979 ] "source-std-uncert-value" [ 0.017961903580406068 0.017960950188869087 0.017959429006637814 0.017957439196620097 0.013068292902644121 0.013035650537218163 0.013042777395967464 0.013127957946712995 0.013336454957554172 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.479678833503968e-19 -7.868208626999211e-20 -3.815096711202241e-20 -9.392104638786533e-21 6.04948973249766e-20 1.010509131651669e-19 1.298317611791854e-19 1.521488430121418e-19 1.703615807005236e-19 ] } "core-energy-isotropic" { "source-value" [ -0.6282977667101555 -0.19585880135140968 0.05710177723233012 0.23658016400593135 0.6690191293638259 0.921979707949211 1.1014580947228194 1.2406723469949283 1.3544186733074743 ] "source-std-uncert-value" [ 0.017962228232705654 0.017962228232773197 0.017962228233511693 0.017962228232435092 0.01796222823319704 0.0179622282334228 0.0179622282337058 0.017962228232022044 0.01796222823308174 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.006644001017394e-19 -3.138003950884762e-20 9.14871332415125e-21 3.79043210838191e-20 1.071886816765745e-19 1.47717434509837e-19 1.76473042269506e-19 1.987776244805214e-19 2.170017951026515e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.6244002117040968 -0.19251486015066424 0.06012187511844087 0.23937049140318525 0.6712558429559404 0.923892578226394 1.103141194509883 1.2421772229450359 1.3557779297795436 ] "source-std-uncert-value" [ 0.017936718080110145 0.017936718080164688 0.017936718080008043 0.017936718079280017 0.017936718079814708 0.017936718080315075 0.017936718079852462 0.017936718079999914 0.01793671807997523 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.000399429456957e-19 -3.08442810631172e-20 9.632586350703195e-21 3.835138081952812e-20 1.075470427019981e-19 1.480239101160345e-19 1.767427045846583e-19 1.990187321889545e-19 2.172195719985677e-19 ] } }