{ "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 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.240045 ] [ 0.5 0.5 0.259954 ] [ 0 0 0.759954 ] [ 0.5 0.5 0.740046 ] [ 0.201833 0.299044 0 ] [ 0.700956 0.201833 0 ] [ 0.299044 0.798167 0 ] [ 0.701833 0.200956 0.5 ] [ 0.298167 0.799044 0.5 ] [ 0.798167 0.700956 0 ] [ 0.799044 0.701833 0.5 ] [ 0.200956 0.298167 0.5 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Te" "Te" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.25024141 "source-unit" "angstrom" } "c" { "source-value" 12.41227576 "source-unit" "angstrom" } }