{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/ncc" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.075437 ] [ 0.5 0 0.424563 ] [ 0.5 0 0.924563 ] [ 0 0.5 0.575437 ] [ 0.670205 0.670205 0.25 ] [ 0.170205 0.829795 0.25 ] [ 0.829795 0.170205 0.25 ] [ 0.329795 0.329795 0.25 ] [ 0.829795 0.829795 0.75 ] [ 0.329795 0.670205 0.75 ] [ 0.670205 0.329795 0.75 ] [ 0.170205 0.170205 0.75 ] [ 0.59938 0.792109 0.911376 ] [ 0.292109 0.90062 0.911376 ] [ 0.707891 0.09938 0.911376 ] [ 0.40062 0.207891 0.911376 ] [ 0.90062 0.292109 0.588624 ] [ 0.09938 0.707891 0.588624 ] [ 0.792109 0.59938 0.588624 ] [ 0.207891 0.40062 0.588624 ] [ 0.90062 0.707891 0.088624 ] [ 0.207891 0.59938 0.088624 ] [ 0.792109 0.40062 0.088624 ] [ 0.09938 0.292109 0.088624 ] [ 0.59938 0.207891 0.411376 ] [ 0.40062 0.792109 0.411376 ] [ 0.707891 0.90062 0.411376 ] [ 0.292109 0.09938 0.411376 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "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" 8.49117366 "source-unit" "angstrom" } "c" { "source-value" 6.04207199 "source-unit" "angstrom" } }