{ "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" 3.9211406409740452 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.921140640974045e-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" [ 2.74825415001681 2.42906702709577 2.44954472434876 2.44802247769764 2.46315772207698 2.43697164730853 2.43787807748968 2.46438861317076 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.74825415001681e-10 2.42906702709577e-10 2.44954472434876e-10 2.44802247769764e-10 2.46315772207698e-10 2.43697164730853e-10 2.43787807748968e-10 2.46438861317076e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020871803739967432 2.0042393371366902 1.9245547791579536 2.0236432220439915 1.9043292169286257 2.059368749014397 2.163931564683472 1.978141076502504 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02087180373996743 2.00423933713669 1.924554779157954 2.023643222043991 1.904329216928626 2.059368749014397 2.163931564683472 1.978141076502504 ] } "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 ] } }