{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.499606 0.25 0.157571 ] [ 0.500394 0.75 0.842429 ] [ 0.682081 0.25 0.591254 ] [ 0.317919 0.75 0.408746 ] [ 0.031346 0.25 0.27932 ] [ 0.968654 0.75 0.72068 ] [ 0.247935 0.25 0.674968 ] [ 0.752065 0.75 0.325032 ] [ 0.146733 0.25 0.98454 ] [ 0.853267 0.75 0.01546 ] [ 0.915056 0.25 0.043954 ] [ 0.084944 0.75 0.956046 ] [ 0.805019 0.25 0.317891 ] [ 0.194981 0.75 0.682109 ] [ 0.01414 0.25 0.75307 ] [ 0.98586 0.75 0.24693 ] [ 0.324069 0.25 0.90844 ] [ 0.675931 0.75 0.09156 ] [ 0.443195 0.25 0.654272 ] [ 0.556805 0.75 0.345728 ] [ 0.781413 0.75 0.813254 ] [ 0.218587 0.25 0.186746 ] [ 0.849179 0.75 0.538695 ] [ 0.150821 0.25 0.461305 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "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" 8.66178771131 "source-unit" "angstrom" } "b" { "source-value" 3.82046029 "source-unit" "angstrom" } "c" { "source-value" 9.2401939782 "source-unit" "angstrom" } "beta" { "source-value" 101.738991351 "source-unit" "degree" } }