{ "property-id" "tag:brunnels@noreply.openkim.org,2016-02-18:property/grain-boundary-symmetric-tilt-energy-relaxed-relation-cubic-crystal" "instance-id" 1 "a" { "source-value" 4.989170035719873 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.989170035719873e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "minimum-atom-separation" { "source-value" [ 3.45899670307681 3.10830138435579 3.12420360527013 3.157289182408 3.13459532351114 3.11647699594458 3.06284619826483 3.18468218428803 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.45899670307681e-10 3.10830138435579e-10 3.12420360527013e-10 3.157289182408e-10 3.13459532351114e-10 3.116476995944581e-10 3.06284619826483e-10 3.18468218428803e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.005063235045269095 0.2848950702876243 0.28013901036733574 0.2767093146311271 0.2565513431504056 0.2532582690190183 0.2772542697022978 0.27922176003565036 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.005063235045269095 0.2848950702876243 0.2801390103673357 0.2767093146311271 0.2565513431504056 0.2532582690190183 0.2772542697022978 0.2792217600356504 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" ] } "tilt-angle" { "source-value" [ 0.0 24.43269767945453 27.79577249602797 32.20422750397202 38.21321070173819 46.82644889274107 52.659006983369785 59.99999999999999 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.4264310196508597 0.4851277481909706 0.562069803005627 0.6669463445036643 0.8172757101951847 0.9190730526904897 1.047197551196598 ] } "tilt-axis" { "source-value" [ 1 1 1 ] } }