{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.640896 0 ] [ 0.359104 0 0 ] [ 0.640896 0 0 ] [ 0 0.359104 0 ] [ 0.904087 0.904087 0.755939 ] [ 0.095913 0.904087 0.244061 ] [ 0.904087 0.095913 0.244061 ] [ 0.095913 0.095913 0.755939 ] [ 0.799525 0.799525 0.263139 ] [ 0.200475 0.799525 0.736861 ] [ 0.799525 0.200475 0.736861 ] [ 0.200475 0.200475 0.263139 ] [ 0.5 0.140896 0.5 ] [ 0.859104 0.5 0.5 ] [ 0.140896 0.5 0.5 ] [ 0.5 0.859104 0.5 ] [ 0.404087 0.404087 0.255939 ] [ 0.595913 0.404087 0.744061 ] [ 0.404087 0.595913 0.744061 ] [ 0.595913 0.595913 0.255939 ] [ 0.299525 0.299525 0.763139 ] [ 0.700475 0.299525 0.236861 ] [ 0.299525 0.700475 0.236861 ] [ 0.700475 0.700475 0.763139 ] [ 0 0.705964 0.5 ] [ 0.294036 0 0.5 ] [ 0.705964 0 0.5 ] [ 0 0.294036 0.5 ] [ 0.5 0.205964 0 ] [ 0.794036 0.5 0 ] [ 0.205964 0.5 0 ] [ 0.5 0.794036 0 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.2206401195 "source-unit" "angstrom" } "c" { "source-value" 6.07949821366 "source-unit" "angstrom" } }