{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.090752 ] [ 0 0.5 0.909248 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0.567392 ] [ 0.5 0 0.432608 ] [ 0.186877 0 0.123806 ] [ 0.5 0.313123 0.123806 ] [ 0.5 0 0.867846 ] [ 0.813123 0 0.123806 ] [ 0.313123 0.5 0.876194 ] [ 0.686877 0.5 0.876194 ] [ 0 0.186877 0.876194 ] [ 0.5 0.686877 0.123806 ] [ 0 0.5 0.132154 ] [ 0 0.813123 0.876194 ] ] } "species" { "source-value" [ "Rb" "Rb" "Mo" "Mo" "P" "P" "Cl" "Cl" "O" "O" "O" "O" "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" 6.57377441 "source-unit" "angstrom" } "c" { "source-value" 7.63772582 "source-unit" "angstrom" } }