{ "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" 3.613315641880036 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.613315641880036e-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" [ 2.53338696598952 2.2776559855208 2.28322011962875 2.30407339444418 2.31431637654094 2.30088966262509 2.28639118029383 2.38662043053913 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.53338696598952e-10 2.2776559855208e-10 2.28322011962875e-10 2.30407339444418e-10 2.31431637654094e-10 2.30088966262509e-10 2.28639118029383e-10 2.38662043053913e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.016780118501636247 1.0542020252339406 1.0552970246931779 1.0473433925569668 1.0074946123934734 0.9907115385419518 1.0208215536545837 0.9480683748205458 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01678011850163625 1.054202025233941 1.055297024693178 1.047343392556967 1.007494612393473 0.9907115385419518 1.020821553654584 0.9480683748205458 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }