{ "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" [ [ 0.328501 0.828501 0.5 ] [ 0.828501 0.671499 0.5 ] [ 0.171499 0.328501 0.5 ] [ 0.671499 0.171499 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.371018 0.128982 0 ] [ 0.871018 0.371018 0 ] [ 0.128982 0.628982 0 ] [ 0.628982 0.871018 0 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "In" "In" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.652922 "source-unit" "angstrom" } "c" { "source-value" 3.63238929 "source-unit" "angstrom" } }