{ "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" 3.6041286587715153 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.604128658771516e-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" [ 2.42477896954801 2.27274834614288 2.27726584499198 2.28148308676594 2.30638151471415 2.31767034658373 2.28768588395198 2.37438874003757 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.42477896954801e-10 2.27274834614288e-10 2.27726584499198e-10 2.28148308676594e-10 2.30638151471415e-10 2.31767034658373e-10 2.28768588395198e-10 2.37438874003757e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -1.4331510618536143 -4.621108370945884 -3.7835162332717895 -1.466933661197016 -1.640275192577925 -1.6185796777516315 -5.38246628320133 -1.6999854810285056 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -1.433151061853614 -4.621108370945884 -3.78351623327179 -1.466933661197016 -1.640275192577925 -1.618579677751631 -5.38246628320133 -1.699985481028506 ] } "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 ] } }