{ "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" 3.560000121593475 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.560000121593475e-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" [ 2.49703824303988 2.31552717864875 2.29629363424412 2.30373117178138 2.3071809271187 2.30332456271149 2.32447870402 2.36181769599538 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.49703824303988e-10 2.31552717864875e-10 2.29629363424412e-10 2.30373117178138e-10 2.3071809271187e-10 2.30332456271149e-10 2.32447870402e-10 2.36181769599538e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02143362312253034 1.4053966792779358 1.4426482302418562 1.4655601657936834 1.4025305455999506 1.3905293661785267 1.3327729396033579 1.4300059318859661 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02143362312253034 1.405396679277936 1.442648230241856 1.465560165793683 1.402530545599951 1.390529366178527 1.332772939603358 1.430005931885966 ] } "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 ] } }