{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.665025 0 ] [ 0 0.826462 0.5 ] [ 0 0.334975 0 ] [ 0 0.173538 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.165025 0 ] [ 0.5 0.326462 0.5 ] [ 0.5 0.834975 0 ] [ 0.5 0.673538 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.201708 0 0.796718 ] [ 0.798292 0 0.203282 ] [ 0.208521 0.139557 0.214538 ] [ 0.791479 0.139557 0.785462 ] [ 0.791479 0.860443 0.785462 ] [ 0.208521 0.860443 0.214538 ] [ 0.701708 0.5 0.796718 ] [ 0.298292 0.5 0.203282 ] [ 0.708521 0.639557 0.214538 ] [ 0.291479 0.639557 0.785462 ] [ 0.291479 0.360443 0.785462 ] [ 0.708521 0.360443 0.214538 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Re" "Re" "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" 5.76147346 "source-unit" "angstrom" } "b" { "source-value" 9.73198601 "source-unit" "angstrom" } "c" { "source-value" 5.663556 "source-unit" "angstrom" } "beta" { "source-value" 111.03544317 "source-unit" "degree" } }