{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4c2" } "basis-atom-coordinates" { "source-value" [ [ 0.67758 0.32242 0.25 ] [ 0.32242 0.32242 0.75 ] [ 0.67758 0.67758 0.75 ] [ 0.32242 0.67758 0.25 ] [ 0.802267 0.34268 0.055076 ] [ 0.34268 0.197733 0.944924 ] [ 0.65732 0.802267 0.944924 ] [ 0.197733 0.65732 0.055076 ] [ 0.65732 0.197733 0.444924 ] [ 0.34268 0.802267 0.444924 ] [ 0.802267 0.65732 0.555076 ] [ 0.197733 0.34268 0.555076 ] [ 0.775747 0.854931 0.14462 ] [ 0.854931 0.224253 0.85538 ] [ 0.145069 0.775747 0.85538 ] [ 0.224253 0.145069 0.14462 ] [ 0.145069 0.224253 0.35538 ] [ 0.854931 0.775747 0.35538 ] [ 0.775747 0.145069 0.64462 ] [ 0.224253 0.854931 0.64462 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.135953 ] [ 0.5 0.5 0.864047 ] [ 0.5 0.5 0.364047 ] [ 0.5 0.5 0.635953 ] [ 0.5 0 0.055578 ] [ 0 0.5 0.944422 ] [ 0 0.5 0.444422 ] [ 0.5 0 0.555578 ] [ 0.5 0 0.323325 ] [ 0 0.5 0.676675 ] [ 0 0.5 0.176675 ] [ 0.5 0 0.823325 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.69136472 "source-unit" "angstrom" } "c" { "source-value" 18.56880916 "source-unit" "angstrom" } }