{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-43d" } "basis-atom-coordinates" { "source-value" [ [ 0.125 0 0.75 ] [ 0 0.75 0.125 ] [ 0.75 0.125 0 ] [ 0.75 0.875 0.5 ] [ 0.875 0.5 0.75 ] [ 0.5 0.75 0.875 ] [ 0.625 0.5 0.25 ] [ 0.5 0.25 0.625 ] [ 0.25 0.625 0.5 ] [ 0.25 0.375 0 ] [ 0.375 0 0.25 ] [ 0 0.25 0.375 ] [ 0.875 0 0.25 ] [ 0.25 0.875 0 ] [ 0.25 0.125 0.5 ] [ 0.5 0.25 0.125 ] [ 0 0.25 0.875 ] [ 0.125 0.5 0.25 ] [ 0.375 0.5 0.75 ] [ 0.75 0.375 0.5 ] [ 0.75 0.625 0 ] [ 0 0.75 0.625 ] [ 0.5 0.75 0.375 ] [ 0.625 0 0.75 ] [ 0.580275 0.419725 0.919725 ] [ 0.419725 0.919725 0.580275 ] [ 0.919725 0.580275 0.419725 ] [ 0.169725 0.669725 0.830275 ] [ 0.830275 0.830275 0.830275 ] [ 0.669725 0.830275 0.169725 ] [ 0.080275 0.080275 0.080275 ] [ 0.830275 0.169725 0.669725 ] [ 0.080275 0.919725 0.419725 ] [ 0.919725 0.419725 0.080275 ] [ 0.419725 0.080275 0.919725 ] [ 0.669725 0.169725 0.330275 ] [ 0.330275 0.330275 0.330275 ] [ 0.169725 0.330275 0.669725 ] [ 0.580275 0.580275 0.580275 ] [ 0.330275 0.669725 0.169725 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.77130402974 "source-unit" "angstrom" } }