{ "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" 4.049999177455902 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.049999177455902e-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" [ 2.83658896589844 2.43842616788733 2.46785623941127 2.41292008532931 2.47363895438509 2.46230060047528 2.44238834259291 2.45742868977828 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.83658896589844e-10 2.43842616788733e-10 2.46785623941127e-10 2.41292008532931e-10 2.47363895438509e-10 2.46230060047528e-10 2.44238834259291e-10 2.45742868977828e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.012620211462793034 0.6478635466241156 0.6237120465614993 0.6588847346283523 0.631325917432676 0.6493612774741668 0.6834234766703722 0.6111795299781547 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01262021146279303 0.6478635466241156 0.6237120465614993 0.6588847346283523 0.631325917432676 0.6493612774741668 0.6834234766703722 0.6111795299781547 ] } "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 ] } }