{ "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" 4.044650822877884 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.044650822877884e-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" [ 2.83404874857058 2.53604261536624 2.52150876202189 2.5178661509786 2.53957296386426 2.4977371766873 2.4723789383525 2.4867156595891 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.83404874857058e-10 2.53604261536624e-10 2.52150876202189e-10 2.5178661509786e-10 2.53957296386426e-10 2.4977371766873e-10 2.4723789383525e-10 2.4867156595891e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.012680026309792609 0.612953092178423 0.6263912003374547 0.6348706627418156 0.6214471264192042 0.6239109895854807 0.6497460631470912 0.6432768612849602 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01268002630979261 0.612953092178423 0.6263912003374547 0.6348706627418156 0.6214471264192042 0.6239109895854807 0.6497460631470912 0.6432768612849602 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "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 ] } }