{ "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" 3.491938583552837 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.491938583552837e-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" [ 2.44680447147681 2.23034452485593 2.23049015680136 2.25347272469778 2.21725618905218 2.20530326683625 2.19299063619043 2.31063472898587 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.44680447147681e-10 2.23034452485593e-10 2.23049015680136e-10 2.25347272469778e-10 2.21725618905218e-10 2.20530326683625e-10 2.19299063619043e-10 2.31063472898587e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.022494590844875654 1.5789785721820078 1.6000136390486661 1.6118638549817426 1.5449153293892797 1.5325450848908746 1.5422868939395764 1.566675220468246 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02249459084487565 1.578978572182008 1.600013639048666 1.611863854981743 1.54491532938928 1.532545084890875 1.542286893939576 1.566675220468246 ] } "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 ] } }