{ "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" 3.593729183077813 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.593729183077813e-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" [ 2.51859831248667 2.2802926182726 2.31550406895037 2.30009979789049 2.32115713184152 2.28245578580957 2.27091346251986 2.3138908480613 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.51859831248667e-10 2.2802926182726e-10 2.31550406895037e-10 2.30009979789049e-10 2.32115713184152e-10 2.28245578580957e-10 2.27091346251986e-10 2.3138908480613e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02046824790415199 1.088275716987509 1.1133453495661791 1.1094087485732274 1.0290556817324057 1.0426123140980175 0.9931572654526466 0.8078236758403612 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02046824790415199 1.088275716987509 1.113345349566179 1.109408748573227 1.029055681732406 1.042612314098017 0.9931572654526466 0.8078236758403612 ] } "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 ] } }