{ "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" 3.6122690513730054 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.612269051373005e-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" [ 2.53230558371852 2.22871228935287 2.25525029459677 2.24584508153326 2.26655526216307 2.29150883107593 2.24726981780399 2.26151060875158 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.532305583718521e-10 2.22871228935287e-10 2.25525029459677e-10 2.24584508153326e-10 2.26655526216307e-10 2.29150883107593e-10 2.24726981780399e-10 2.26151060875158e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020209145718467332 -1.6250249225383968 0.934391797348824 -0.14641003755962534 0.7410216938416322 -0.43635995514104137 -2.418014846514847 -1.2869904380179726 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02020914571846733 -1.625024922538397 0.934391797348824 -0.1464100375596253 0.7410216938416322 -0.4363599551410414 -2.418014846514847 -1.286990438017973 ] } "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 ] } }