{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.19666 0.124741 0.5 ] [ 0.875259 0.19666 0.5 ] [ 0.124741 0.80334 0.5 ] [ 0.80334 0.875259 0.5 ] [ 0 0 0 ] [ 0.69666 0.624741 0 ] [ 0.375259 0.69666 0 ] [ 0.624741 0.30334 0 ] [ 0.30334 0.375259 0 ] [ 0.5 0.5 0.5 ] [ 0.941174 0.718964 0 ] [ 0.281036 0.941174 0 ] [ 0.718964 0.058826 0 ] [ 0.058826 0.281036 0 ] [ 0.441174 0.218964 0.5 ] [ 0.781036 0.441174 0.5 ] [ 0.218964 0.558826 0.5 ] [ 0.558826 0.781036 0.5 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.0194399019 "source-unit" "angstrom" } "c" { "source-value" 3.45225146459 "source-unit" "angstrom" } }