{ "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" 4.049998879432679 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.049998879432679e-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" [ 2.84040188831271 2.47881788561621 2.54632515805048 2.52943316369905 2.5373200467894 2.49125065849347 2.49164196949968 2.6363129643217 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.84040188831271e-10 2.47881788561621e-10 2.54632515805048e-10 2.52943316369905e-10 2.5373200467894e-10 2.49125065849347e-10 2.49164196949968e-10 2.6363129643217e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.012698947259537444 0.634869173638093 0.6415410944543992 0.666304242743915 0.6871814884601513 0.6961054821335306 0.6906309452647578 0.5415521986911083 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01269894725953744 0.634869173638093 0.6415410944543992 0.666304242743915 0.6871814884601513 0.6961054821335306 0.6906309452647578 0.5415521986911083 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "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 ] } }