{ "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" 3.560000121593475 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.560000121593475e-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" [ 2.49263754630078 2.29416728762567 2.31514628672567 2.29907871607173 2.35978547751751 2.3278329510723 2.27345935019836 2.40953175629906 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.49263754630078e-10 2.29416728762567e-10 2.31514628672567e-10 2.29907871607173e-10 2.35978547751751e-10 2.3278329510723e-10 2.27345935019836e-10 2.40953175629906e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.021495031873083482 1.4117089980205184 1.4429767470673647 1.4624160774660449 1.38718208448137 1.3945680822263786 1.3152445489720026 1.1880852580955417 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02149503187308348 1.411708998020518 1.442976747067365 1.462416077466045 1.38718208448137 1.394568082226379 1.315244548972003 1.188085258095542 ] } "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 ] } }