{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.19296 0.69296 0.5 ] [ 0.69296 0.80704 0.5 ] [ 0.30704 0.19296 0.5 ] [ 0.80704 0.30704 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.392856 0.892856 0.791292 ] [ 0.607144 0.107144 0.791292 ] [ 0.107144 0.392856 0.791292 ] [ 0.892856 0.607144 0.791292 ] [ 0.392856 0.892856 0.208708 ] [ 0.892856 0.607144 0.208708 ] [ 0.107144 0.392856 0.208708 ] [ 0.607144 0.107144 0.208708 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.847421 0.347421 0 ] [ 0.347421 0.152579 0 ] [ 0.652579 0.847421 0 ] [ 0.152579 0.652579 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Mn" "Mn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.57084457 "source-unit" "angstrom" } "c" { "source-value" 6.3283994 "source-unit" "angstrom" } }