{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.702103 0.556832 0.144071 ] [ 0.297897 0.056832 0.355929 ] [ 0.297897 0.443168 0.855929 ] [ 0.702103 0.943168 0.644071 ] [ 0.886728 0.543902 0.436981 ] [ 0.113272 0.043902 0.063019 ] [ 0.113272 0.456098 0.563019 ] [ 0.886728 0.956098 0.936981 ] [ 0.838255 0.117531 0.84889 ] [ 0.161745 0.617531 0.65111 ] [ 0.161745 0.882469 0.15111 ] [ 0.838255 0.382469 0.34889 ] [ 0.769689 0.729916 0.932896 ] [ 0.230311 0.229916 0.567104 ] [ 0.230311 0.270084 0.067104 ] [ 0.769689 0.770084 0.432896 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "C" "C" "C" "C" "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" 3.55141282778 "source-unit" "angstrom" } "b" { "source-value" 5.29731544 "source-unit" "angstrom" } "c" { "source-value" 10.6001909908 "source-unit" "angstrom" } "beta" { "source-value" 93.7397084335 "source-unit" "degree" } }