{ "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" 4.066269248723984 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.066269248723984e-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" [ 2.7313492229721 2.33176471526022 2.30751849314592 2.39887994016795 2.42233917015768 2.40359601843802 2.40719850612959 2.51550625875523 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.7313492229721e-10 2.33176471526022e-10 2.30751849314592e-10 2.39887994016795e-10 2.42233917015768e-10 2.40359601843802e-10 2.40719850612959e-10 2.51550625875523e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -0.24853419911150315 0.28811329881362496 0.3197864485588152 0.47034201182760915 0.40777939431005117 0.4729402219793347 0.2781089029426158 0.38081796312566135 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -0.2485341991115032 0.288113298813625 0.3197864485588152 0.4703420118276092 0.4077793943100512 0.4729402219793347 0.2781089029426158 0.3808179631256614 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "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 ] } }