{ "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" 4.1529443442821545 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.152944344282155e-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" [ 2.91040079621936 2.66023709815055 2.67354579849024 2.63611125247 2.69588959575912 2.65636445698442 2.62786895925389 2.68979023619956 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.91040079621936e-10 2.66023709815055e-10 2.67354579849024e-10 2.63611125247e-10 2.69588959575912e-10 2.65636445698442e-10 2.62786895925389e-10 2.68979023619956e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.010856428510016261 0.5794366684177782 0.5682449648700633 0.5694238603840478 0.5324207958330208 0.510342860740238 0.5565315008734832 0.5727423532244762 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01085642851001626 0.5794366684177782 0.5682449648700633 0.5694238603840478 0.5324207958330208 0.510342860740238 0.5565315008734832 0.5727423532244762 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" ] } "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 ] } }