{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.985579 ] [ 0.5 0.5 0.485579 ] [ 0 0 0.573818 ] [ 0.5 0.5 0.073818 ] [ 0.932262 0.750043 0.071376 ] [ 0.750043 0.067738 0.071376 ] [ 0.249957 0.932262 0.071376 ] [ 0.067738 0.249957 0.071376 ] [ 0.432262 0.250043 0.571376 ] [ 0.250043 0.567738 0.571376 ] [ 0.749957 0.432262 0.571376 ] [ 0.567738 0.749957 0.571376 ] ] } "species" { "source-value" [ "Re" "Re" "N" "N" "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" 8.80200863362 "source-unit" "angstrom" } "c" { "source-value" 4.10565250173 "source-unit" "angstrom" } }