{ "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" [ [ 0.5 0.5 0.142769 ] [ 0.5 0.5 0.857231 ] [ 0 0 0.642769 ] [ 0 0 0.357231 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.152351 ] [ 0 0 0.847649 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.652351 ] [ 0.5 0.5 0.347649 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Cr" "Cr" "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" 5.06305227845 "source-unit" "angstrom" } "c" { "source-value" 16.1179004694 "source-unit" "angstrom" } }