{ "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" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.821837 0.321837 0.5 ] [ 0.321837 0.178163 0.5 ] [ 0.178163 0.678163 0.5 ] [ 0.678163 0.821837 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.36929 0.86929 0.77491 ] [ 0.63071 0.13071 0.77491 ] [ 0.13071 0.36929 0.77491 ] [ 0.86929 0.63071 0.77491 ] [ 0.36929 0.86929 0.22509 ] [ 0.86929 0.63071 0.22509 ] [ 0.13071 0.36929 0.22509 ] [ 0.63071 0.13071 0.22509 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "K" "K" "K" "K" "Pd" "Pd" "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" 7.49485239 "source-unit" "angstrom" } "c" { "source-value" 6.36249524 "source-unit" "angstrom" } }