{ "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" 3.587871603667736 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.587871603667736e-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" [ 2.51516439127297 2.27554754743779 2.27312092784708 2.29424188612556 2.32640279782616 2.31188511557705 2.30592571954768 2.40673818848908 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.51516439127297e-10 2.27554754743779e-10 2.27312092784708e-10 2.29424188612556e-10 2.32640279782616e-10 2.31188511557705e-10 2.30592571954768e-10 2.40673818848908e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.016933373903379307 0.9307338229544081 0.9383253163440166 0.9509393921108596 0.9078508615685595 0.9026646685723951 0.9081035321439942 0.767726383968865 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01693337390337931 0.9307338229544081 0.9383253163440166 0.9509393921108596 0.9078508615685595 0.9026646685723951 0.9081035321439942 0.767726383968865 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }