{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.790386 0.200936 0 ] [ 0.799064 0.790386 0.5 ] [ 0.200936 0.209614 0.5 ] [ 0.209614 0.799064 0 ] [ 0.21154 0.350892 0.155849 ] [ 0.649108 0.21154 0.655849 ] [ 0.350892 0.78846 0.655849 ] [ 0.78846 0.649108 0.155849 ] [ 0.78846 0.649108 0.844151 ] [ 0.350892 0.78846 0.344151 ] [ 0.649108 0.21154 0.344151 ] [ 0.21154 0.350892 0.844151 ] ] } "species" { "source-value" [ "Na" "Na" "Sb" "Sb" "Cl" "Cl" "Cl" "Cl" "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" 6.61256105 "source-unit" "angstrom" } "c" { "source-value" 10.94956754 "source-unit" "angstrom" } }