{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.18365 0.68365 0.5 ] [ 0.81635 0.31635 0.5 ] [ 0.68365 0.81635 0.5 ] [ 0.31635 0.18365 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.607874 0.107874 0.808305 ] [ 0.392126 0.892126 0.808305 ] [ 0.107874 0.392126 0.808305 ] [ 0.892126 0.607874 0.808305 ] [ 0.392126 0.892126 0.191695 ] [ 0.607874 0.107874 0.191695 ] [ 0.892126 0.607874 0.191695 ] [ 0.107874 0.392126 0.191695 ] [ 0.5 0 0 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.85276286 "source-unit" "angstrom" } "c" { "source-value" 6.03624324 "source-unit" "angstrom" } }