{ "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" 3.548374074697496 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.548374074697496e-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" [ 2.48935666138121 2.23262433316061 2.24229729557701 2.216244010914 2.27072389797256 2.27161423907221 2.27774174205998 2.29973412199145 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.48935666138121e-10 2.23262433316061e-10 2.24229729557701e-10 2.216244010914e-10 2.27072389797256e-10 2.27161423907221e-10 2.27774174205998e-10 2.29973412199145e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.019844952947522414 1.1937060382678184 1.1825564677227334 1.19664824635902 1.083196417591469 1.103102200823279 1.0994360061494162 1.0261027718761158 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01984495294752241 1.193706038267818 1.182556467722733 1.19664824635902 1.083196417591469 1.103102200823279 1.099436006149416 1.026102771876116 ] } "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 ] } }