{ "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" 3.658403038978577 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658403038978577e-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" [ 2.56244847487604 2.20538374403262 2.23905515656219 2.21284778828695 2.21756422915069 2.2482770341271 2.26810902924331 2.25488307783357 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.56244847487604e-10 2.20538374403262e-10 2.23905515656219e-10 2.21284778828695e-10 2.21756422915069e-10 2.2482770341271e-10 2.26810902924331e-10 2.25488307783357e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -0.37154844081561744 -4.685883160654482 -4.113396212461868 -1.9284307581490205 -3.5861315293097524 -1.6809034319002925 -5.638028764161834 -2.383212843059242 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -0.3715484408156174 -4.685883160654482 -4.113396212461868 -1.928430758149021 -3.586131529309752 -1.680903431900292 -5.638028764161834 -2.383212843059242 ] } "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 ] } }