{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] [ 0.336721 0.163279 0.5 ] [ 0.336721 0.836721 0 ] [ 0.663279 0.836721 0.5 ] [ 0.663279 0.163279 0 ] [ 0.836721 0.663279 0 ] [ 0.836721 0.336721 0.5 ] [ 0.163279 0.336721 0 ] [ 0.163279 0.663279 0.5 ] ] } "species" { "source-value" [ "Pd" "Pd" "Pd" "Pd" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.04198884624 "source-unit" "angstrom" } "c" { "source-value" 5.92070338037 "source-unit" "angstrom" } }