{ "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" [ [ 0.182872 0.682872 0 ] [ 0.682872 0.817128 0 ] [ 0.317128 0.182872 0 ] [ 0.817128 0.317128 0 ] [ 0.326236 0.461095 0.5 ] [ 0.673764 0.538905 0.5 ] [ 0.538905 0.326236 0.5 ] [ 0.461095 0.673764 0.5 ] [ 0 0 0.20526 ] [ 0.5 0.5 0.79474 ] [ 0 0 0.79474 ] [ 0.5 0.5 0.20526 ] [ 0.588242 0.088242 0.5 ] [ 0.088242 0.411758 0.5 ] [ 0.911758 0.588242 0.5 ] [ 0.411758 0.911758 0.5 ] [ 0.038905 0.173764 0.5 ] [ 0.173764 0.961095 0.5 ] [ 0.826236 0.038905 0.5 ] [ 0.961095 0.826236 0.5 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.27020889 "source-unit" "angstrom" } "c" { "source-value" 4.14410588 "source-unit" "angstrom" } }