{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4mm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.796872 ] [ 0 0.5 0.554016 ] [ 0.5 0 0.554016 ] [ 0 0 0.81072 ] [ 0.5 0.5 0.293102 ] [ 0 0 0.363279 ] [ 0.5 0 0.968244 ] [ 0 0.5 0.968244 ] [ 0.759585 0.759585 0.323149 ] [ 0.5 0.5 0.485598 ] [ 0.756052 0.756052 0.680441 ] [ 0.240415 0.759585 0.323149 ] [ 0.756052 0.243948 0.680441 ] [ 0.243948 0.243948 0.680441 ] [ 0.240415 0.240415 0.323149 ] [ 0.759585 0.240415 0.323149 ] [ 0.243948 0.756052 0.680441 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Te" "Te" "Br" "Br" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.66585021 "source-unit" "angstrom" } "c" { "source-value" 9.88263441 "source-unit" "angstrom" } }