{ "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" 3.604343503713608 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.604343503713608e-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" [ 2.52198779803044 2.2564565806009 2.27195261332185 2.25400341621842 2.24279030100097 2.24068988428977 2.25772687305284 2.39922758939717 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.52198779803044e-10 2.2564565806009e-10 2.27195261332185e-10 2.25400341621842e-10 2.24279030100097e-10 2.24068988428977e-10 2.25772687305284e-10 2.39922758939717e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020179792284663062 0.8018430894126656 0.7363890928737723 0.8224079101051804 0.7201079935739879 0.41377595317607624 -1.242764885296276 0.5142664859781442 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02017979228466306 0.8018430894126656 0.7363890928737723 0.8224079101051804 0.7201079935739879 0.4137759531760762 -1.242764885296276 0.5142664859781442 ] } "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 ] } }