{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0 0.690646 0.666667 ] [ 0.690646 0 0.333333 ] [ 0.309354 0.309354 0 ] [ 0.691371 0 0.833333 ] [ 0 0.691371 0.166667 ] [ 0.308629 0.308629 0.5 ] [ 0.898053 0.528006 0.051656 ] [ 0.471994 0.370047 0.384989 ] [ 0.629953 0.101947 0.718323 ] [ 0.370047 0.471994 0.615011 ] [ 0.528006 0.898053 0.948344 ] [ 0.101947 0.629953 0.281677 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "N" "N" "N" "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" 6.07636725505 "source-unit" "angstrom" } "c" { "source-value" 8.09620341 "source-unit" "angstrom" } }