{ "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" 3.520013511180878 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.520013511180878e-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" [ 2.46568573655452 2.17517296419285 2.19388088572696 2.15555792352014 2.20108926612706 2.11418548162203 2.14505084686958 2.13661191369693 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46568573655452e-10 2.17517296419285e-10 2.19388088572696e-10 2.15555792352014e-10 2.20108926612706e-10 2.11418548162203e-10 2.14505084686958e-10 2.13661191369693e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02203227755246024 1.4097744312499307 1.3881917070273782 1.4452934730661384 1.3806331562339327 1.3690726945437997 1.3480017951997674 1.3829012104618277 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02203227755246024 1.409774431249931 1.388191707027378 1.445293473066138 1.380633156233933 1.3690726945438 1.348001795199767 1.382901210461828 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "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 ] } }