{ "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" 3.548374074697496 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.548374074697496e-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" [ 2.48891008611689 2.2234933122501 2.24996498136543 2.23975332919676 2.28272599595914 2.27537804991546 2.2757029755733 2.33713460858953 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.48891008611689e-10 2.2234933122501e-10 2.24996498136543e-10 2.23975332919676e-10 2.28272599595914e-10 2.27537804991546e-10 2.2757029755733e-10 2.33713460858953e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.019887674384842968 1.1895716711490913 1.1798689521136376 1.1883377715182626 1.101007390419814 1.1392866915239381 1.1248121397363147 1.0200189899886023 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01988767438484297 1.189571671149091 1.179868952113638 1.188337771518263 1.101007390419814 1.139286691523938 1.124812139736315 1.020018989988602 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "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 ] } }