{ "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" 3.613315641880036 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.613315641880036e-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" [ 2.53338696598952 2.2776559855209 2.28322011962872 2.30407339444426 2.31431637654092 2.3008896626251 2.28639118029387 2.38662044786613 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.53338696598952e-10 2.2776559855209e-10 2.28322011962872e-10 2.30407339444426e-10 2.31431637654092e-10 2.3008896626251e-10 2.28639118029387e-10 2.38662044786613e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.016778365000394063 1.0541991769437402 1.0552945119688226 1.0473419488549152 1.0074927732316918 0.9907100299890448 1.0208188370493714 0.9480667634044453 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01677836500039406 1.05419917694374 1.055294511968823 1.047341948854915 1.007492773231692 0.9907100299890448 1.020818837049371 0.9480667634044453 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }