{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.667537 0.167537 0.5 ] [ 0.167537 0.332463 0.5 ] [ 0.832463 0.667537 0.5 ] [ 0.332463 0.832463 0.5 ] [ 0.87237 0.37237 0 ] [ 0.37237 0.12763 0 ] [ 0.62763 0.87237 0 ] [ 0.12763 0.62763 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Pd" "Pd" "Pd" "Pd" "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" 7.87608901 "source-unit" "angstrom" } "c" { "source-value" 3.51274115 "source-unit" "angstrom" } }