{ "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" 2.8169555217027673 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.816955521702767e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.34898763478362 2.30386612984663 2.31489960126896 2.16640056311117 2.31878150354262 2.31566320226642 2.29763728782737 2.27028246206734 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.34898763478362e-10 2.30386612984663e-10 2.31489960126896e-10 2.16640056311117e-10 2.31878150354262e-10 2.31566320226642e-10 2.29763728782737e-10 2.27028246206734e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -3.169049659474769 -3.360552640899167 -2.903476578753655 -1.5690269102300822 -2.2390609684971627 -1.7906064169329194 -3.391006191925356 -1.0425758816613326 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -3.169049659474769 -3.360552640899167 -2.903476578753655 -1.569026910230082 -2.239060968497163 -1.790606416932919 -3.391006191925356 -1.042575881661333 ] } "short-name" { "source-value" [ "bcc" ] } "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 ] } }