{ "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" 4.949355554580694 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.949355554580695e-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" [ 3.46644445127446 3.14108057133359 3.1503058131572 3.14614861631226 3.21527662382177 3.17836667495332 3.16907125476683 3.2811087124132 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.46644445127446e-10 3.14108057133359e-10 3.1503058131572e-10 3.14614861631226e-10 3.21527662382177e-10 3.17836667495332e-10 3.16907125476683e-10 3.2811087124132e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.005090392977202803 0.2186109857702537 0.21938805299551886 0.2191457692957462 0.20788276916866796 0.1992535428101122 0.20984072674009355 0.20562449223458154 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.005090392977202803 0.2186109857702537 0.2193880529955189 0.2191457692957462 0.207882769168668 0.1992535428101122 0.2098407267400935 0.2056244922345815 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" ] } "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 ] } }