{ "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" 3.8733648657798767 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.873364865779877e-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" [ 2.71583202762452 2.43493623007071 2.44870578175158 2.45027915417485 2.45243633725585 2.39981542073374 2.40051254319147 2.53045025726329 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.71583202762452e-10 2.43493623007071e-10 2.44870578175158e-10 2.45027915417485e-10 2.45243633725585e-10 2.39981542073374e-10 2.40051254319147e-10 2.53045025726329e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.0146269106743924 0.9919258635912144 1.0075028682049378 0.9946332062263137 0.9529318231985763 0.9309018124745005 0.9920953805603687 1.0350480196686755 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.0146269106743924 0.9919258635912144 1.007502868204938 0.9946332062263137 0.9529318231985763 0.9309018124745005 0.9920953805603687 1.035048019668676 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Pd" "Pd" "Pd" "Pd" ] } "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 ] } }