{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.860732 0.72484 0.25 ] [ 0.864108 0.139268 0.25 ] [ 0.27516 0.135892 0.25 ] [ 0.139268 0.27516 0.75 ] [ 0.135892 0.860732 0.75 ] [ 0.72484 0.864108 0.75 ] [ 0.916988 0.607815 0.25 ] [ 0.690826 0.083012 0.25 ] [ 0.392185 0.309174 0.25 ] [ 0.083012 0.392185 0.75 ] [ 0.309174 0.916988 0.75 ] [ 0.607815 0.690826 0.75 ] ] } "species" { "source-value" [ "Sm" "Sm" "H" "H" "H" "H" "H" "H" "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" 6.38657831673 "source-unit" "angstrom" } "c" { "source-value" 3.69143727 "source-unit" "angstrom" } }