{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4" } "basis-atom-coordinates" { "source-value" [ [ 0.193093 0.286937 0.831824 ] [ 0.286937 0.806907 0.168176 ] [ 0.806907 0.713063 0.831824 ] [ 0.713063 0.193093 0.168176 ] [ 0 0 0.5 ] [ 0.900989 0.853993 0.332483 ] [ 0.853993 0.099011 0.667517 ] [ 0.099011 0.146007 0.332483 ] [ 0.146007 0.900989 0.667517 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "C" "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" 6.6870455366 "source-unit" "angstrom" } "c" { "source-value" 4.93858413625 "source-unit" "angstrom" } }