{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.184541 ] [ 0 0 0.815459 ] [ 0 0 0 ] [ 0.5 0.5 0.684541 ] [ 0.5 0.5 0.315459 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.903982 ] [ 0.5 0.5 0.096018 ] [ 0 0 0.403982 ] [ 0 0 0.596018 ] [ 0.5 0 0.905455 ] [ 0.5 0.5 0.812245 ] [ 0 0.5 0.905455 ] [ 0 0.5 0.094545 ] [ 0.5 0.5 0.187755 ] [ 0.5 0 0.094545 ] [ 0.5 0.5 0 ] [ 0 0.5 0.405455 ] [ 0 0 0.312245 ] [ 0.5 0 0.405455 ] [ 0.5 0 0.594545 ] [ 0 0 0.687755 ] [ 0 0.5 0.594545 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Mg" "Mg" "Mg" "Mg" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.14866060914 "source-unit" "angstrom" } "c" { "source-value" 27.2320884689 "source-unit" "angstrom" } }