{ "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" 3.6583663821220402 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.65836638212204e-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" [ 2.56485473241008 2.21790707224135 2.17132752804685 2.22601401290592 2.2259404262935 2.22072994870139 2.28556250429785 2.34399283691915 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.56485473241008e-10 2.21790707224135e-10 2.17132752804685e-10 2.22601401290592e-10 2.2259404262935e-10 2.22072994870139e-10 2.28556250429785e-10 2.34399283691915e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -1.0844472740710183 -4.289833110797443 -4.277906702219698 -2.019211125388769 -2.8230721581793445 -1.9525862379685364 -5.571197260143734 -2.7038867327367453 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -1.084447274071018 -4.289833110797443 -4.277906702219698 -2.019211125388769 -2.823072158179345 -1.952586237968536 -5.571197260143734 -2.703886732736745 ] } "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 ] } }