{ "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" 3.658099144697189 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658099144697189e-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" [ 2.5622244913837 2.24269414413277 2.19740978298147 2.24255337267106 2.21580104114324 2.23424944697585 2.24056008761582 2.30016751184917 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.5622244913837e-10 2.24269414413277e-10 2.19740978298147e-10 2.24255337267106e-10 2.21580104114324e-10 2.23424944697585e-10 2.24056008761582e-10 2.30016751184917e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -0.3727515033297367 -4.315292942771191 -4.045448012412172 -1.8936693675155558 -3.6105256592107193 -1.7476773399321988 -5.516338950157676 -2.2823572933623306 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -0.3727515033297367 -4.315292942771191 -4.045448012412172 -1.893669367515556 -3.610525659210719 -1.747677339932199 -5.516338950157676 -2.282357293362331 ] } "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 ] } }