{ "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" 3.608116634190083 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.608116634190083e-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" [ 2.5333510869388 2.22878119493777 2.24955050335535 2.22442902784156 2.22877165792654 2.21505970031179 2.21191416929967 2.23628012265811 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.5333510869388e-10 2.22878119493777e-10 2.24955050335535e-10 2.22442902784156e-10 2.22877165792654e-10 2.21505970031179e-10 2.21191416929967e-10 2.23628012265811e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020106194131277986 1.0861458022556196 1.1041061280501008 1.1347744355668574 0.9921404336069483 0.991302863416944 0.8968384013216096 0.7320439450349449 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02010619413127799 1.08614580225562 1.104106128050101 1.134774435566857 0.9921404336069483 0.991302863416944 0.8968384013216096 0.7320439450349449 ] } "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 ] } }