{ "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" 3.604343503713608 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.604343503713608e-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" [ 2.52587674601792 2.23041772369207 2.30645583752249 2.27962170051986 2.26093300616145 2.26403511516523 2.17738230715643 2.40489736785359 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.52587674601792e-10 2.23041772369207e-10 2.30645583752249e-10 2.27962170051986e-10 2.26093300616145e-10 2.26403511516523e-10 2.17738230715643e-10 2.40489736785359e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020224937583718544 -0.648064941952167 0.7484951038449366 0.8415375358732868 0.7773595991669798 0.7892021223672994 -0.9803647953423985 0.4065769579967715 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02022493758371854 -0.648064941952167 0.7484951038449366 0.8415375358732868 0.7773595991669798 0.7892021223672994 -0.9803647953423985 0.4065769579967715 ] } "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 ] } }