{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mnc" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.785677 0.278469 0 ] [ 0.214323 0.721531 0 ] [ 0.5 0.5 0.253409 ] [ 0.285677 0.221531 0.5 ] [ 0.278469 0.214323 0 ] [ 0.778469 0.285677 0.5 ] [ 0 0 0.246591 ] [ 0.714323 0.778469 0.5 ] [ 0.221531 0.714323 0.5 ] [ 0.5 0.5 0.746591 ] [ 0.721531 0.785677 0 ] [ 0 0 0.753409 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "U" "U" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.93205092 "source-unit" "angstrom" } "c" { "source-value" 11.24690516 "source-unit" "angstrom" } }