{ "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" 3.633016772568226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.633016772568226e-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" [ 2.55115991768145 2.28150638968045 2.2906727764265 2.29349970010469 2.32416317492014 2.28698735500851 2.32656377493579 2.41950585885768 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.55115991768145e-10 2.28150638968045e-10 2.2906727764265e-10 2.29349970010469e-10 2.32416317492014e-10 2.28698735500851e-10 2.32656377493579e-10 2.41950585885768e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020094908940998378 1.6755487587763844 1.6760354918250058 1.730256419943915 1.6334076081496336 1.6037999070760742 1.5820658410175932 1.2292014021955264 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02009490894099838 1.675548758776384 1.676035491825006 1.730256419943915 1.633407608149634 1.603799907076074 1.582065841017593 1.229201402195526 ] } "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 ] } }