{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.926788 0.926788 0.682949 ] [ 0.073212 0.073212 0.682949 ] [ 0.926788 0.926788 0.317051 ] [ 0.426788 0.573212 0.182949 ] [ 0.573212 0.426788 0.182949 ] [ 0.073212 0.073212 0.317051 ] [ 0.426788 0.573212 0.817051 ] [ 0.573212 0.426788 0.817051 ] [ 0.708033 0.291967 0 ] [ 0.793819 0.793819 0 ] [ 0.791967 0.791967 0.5 ] [ 0.293819 0.706181 0.5 ] [ 0.206181 0.206181 0 ] [ 0.208033 0.208033 0.5 ] [ 0.291967 0.708033 0 ] [ 0.706181 0.293819 0.5 ] [ 0 0 0.244374 ] [ 0.5 0.5 0.744374 ] [ 0.5 0.5 0.255626 ] [ 0 0 0.755626 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Cu" "Cu" "H" "H" "H" "H" "H" "H" "H" "H" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 7.79352466 "source-unit" "angstrom" } "c" { "source-value" 8.0854356 "source-unit" "angstrom" } }