{ "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" 2.84364253282547 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.84364253282547e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.45966967141135 2.27804735310747 2.30855028053338 2.26712467068039 2.28848534017631 2.2925033906402 2.27930576010336 2.28294875316792 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.45966967141135e-10 2.27804735310747e-10 2.30855028053338e-10 2.26712467068039e-10 2.28848534017631e-10 2.2925033906402e-10 2.27930576010336e-10 2.28294875316792e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.015379459164280428 0.5082023422501055 0.483229218297394 0.555610637831902 0.49970663432285783 0.49527581448708724 0.493880432676924 0.19472301622422367 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01537945916428043 0.5082023422501055 0.483229218297394 0.555610637831902 0.4997066343228578 0.4952758144870872 0.493880432676924 0.1947230162242237 ] } "short-name" { "source-value" [ "bcc" ] } "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 ] } }