{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im2m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.510303 0.104877 ] [ 0 0.957866 0 ] [ 0.5 0.510303 0.895123 ] [ 0 0.010303 0.604877 ] [ 0.5 0.457866 0.5 ] [ 0 0.010303 0.395123 ] [ 0 0.004407 0.802688 ] [ 0 0.004407 0.197312 ] [ 0.5 0.504407 0.302688 ] [ 0.5 0.504407 0.697312 ] [ 0 0.2418 0.08718 ] [ 0.5 0.256202 0.198355 ] [ 0.5 0.757035 0.201895 ] [ 0 0.2418 0.91282 ] [ 0.5 0.256202 0.801645 ] [ 0 0.743782 0.103603 ] [ 0.5 0.757035 0.798105 ] [ 0 0.743782 0.896397 ] [ 0.5 0.738347 0 ] [ 0.5 0.7418 0.58718 ] [ 0 0.756202 0.698355 ] [ 0 0.257035 0.701895 ] [ 0.5 0.7418 0.41282 ] [ 0 0.756202 0.301645 ] [ 0.5 0.243782 0.603603 ] [ 0 0.257035 0.298105 ] [ 0.5 0.243782 0.396397 ] [ 0 0.238347 0.5 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Th" "Th" "Th" "Th" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.92023661 "source-unit" "angstrom" } "b" { "source-value" 5.62091819 "source-unit" "angstrom" } "c" { "source-value" 19.69236153 "source-unit" "angstrom" } }