{ "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" [ [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.725012 0.859678 0.75 ] [ 0.865334 0.725012 0.25 ] [ 0.134666 0.274988 0.75 ] [ 0.274988 0.140322 0.25 ] [ 0.859678 0.134666 0.25 ] [ 0.140322 0.865334 0.75 ] [ 0.917194 0.604279 0.25 ] [ 0.604279 0.687085 0.75 ] [ 0.082806 0.395721 0.75 ] [ 0.395721 0.312915 0.25 ] [ 0.687085 0.082806 0.25 ] [ 0.312915 0.917194 0.75 ] ] } "species" { "source-value" [ "Tb" "Tb" "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" 6.34241870939 "source-unit" "angstrom" } "c" { "source-value" 3.59023683 "source-unit" "angstrom" } }