{ "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" 3.56200759857893 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.56200759857893e-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" [ 2.49567378728103 2.31879344982915 2.31814011397363 2.31026673722296 2.31316207568296 2.34106419711708 2.29135982613872 2.34477175257297 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.49567378728103e-10 2.31879344982915e-10 2.31814011397363e-10 2.31026673722296e-10 2.31316207568296e-10 2.34106419711708e-10 2.29135982613872e-10 2.34477175257297e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.021405512062230344 1.2911287123518065 1.3065483455804 1.3005490831061837 1.2005268047516588 1.2550236720759436 1.3079549009660556 1.4382389017369073 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02140551206223034 1.291128712351806 1.3065483455804 1.300549083106184 1.200526804751659 1.255023672075944 1.307954900966056 1.438238901736907 ] } "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 ] } }