{ "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" 3.662545010447502 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.662545010447502e-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" [ 2.4265817533429 2.20006710964207 2.21526489364217 2.20502017352809 2.26145461637946 2.21930334760384 2.19565957832677 2.34048676977401 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.4265817533429e-10 2.20006710964207e-10 2.21526489364217e-10 2.20502017352809e-10 2.26145461637946e-10 2.21930334760384e-10 2.19565957832677e-10 2.34048676977401e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -0.569397219703873 -3.874268802159697 -4.342263233226148 -1.6403354137108104 -2.0179764240811426 -1.9746117891427442 -5.722945844670023 -1.9554154135116963 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -0.569397219703873 -3.874268802159697 -4.342263233226148 -1.64033541371081 -2.017976424081143 -1.974611789142744 -5.722945844670023 -1.955415413511696 ] } "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 ] } }