{ "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" 3.700475549697878 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.700475549697878e-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" [ 2.40423983159259 2.20572216715176 2.22249496357834 2.22074190287209 2.24579735509789 2.22366916865979 2.21726390247328 2.35105977192235 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.40423983159259e-10 2.20572216715176e-10 2.22249496357834e-10 2.22074190287209e-10 2.24579735509789e-10 2.22366916865979e-10 2.21726390247328e-10 2.35105977192235e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -0.7451662840372479 -3.0881993000879735 -2.924077671335777 -1.2339824213229595 -1.3819295299929222 -0.9967609635493582 -4.06389890262839 -2.021917919298614 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -0.7451662840372479 -3.088199300087973 -2.924077671335777 -1.23398242132296 -1.381929529992922 -0.9967609635493582 -4.06389890262839 -2.021917919298614 ] } "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 ] } }