{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.521556 0.251749 ] [ 0.5 0.478444 0.748251 ] [ 0 0.021556 0.248251 ] [ 0 0.978444 0.751749 ] [ 0 0.833496 0.493342 ] [ 0 0.166504 0.506658 ] [ 0.5 0.333496 0.006658 ] [ 0.5 0.666504 0.993342 ] [ 0 0.512674 0.10469 ] [ 0 0.487326 0.89531 ] [ 0.5 0.012674 0.39531 ] [ 0.5 0.987326 0.60469 ] [ 0 0.732476 0.302044 ] [ 0 0.267524 0.697956 ] [ 0.5 0.232476 0.197956 ] [ 0.5 0.767524 0.802044 ] [ 0 0.880909 0.942731 ] [ 0 0.119091 0.057269 ] [ 0.5 0.380909 0.557269 ] [ 0.5 0.619091 0.442731 ] [ 0 0.659503 0.655204 ] [ 0 0.340497 0.344796 ] [ 0.5 0.159503 0.844796 ] [ 0.5 0.840497 0.155204 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.90256277 "source-unit" "angstrom" } "b" { "source-value" 9.99321237 "source-unit" "angstrom" } "c" { "source-value" 15.11902339 "source-unit" "angstrom" } }