{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/n" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.607233 0.134704 0.643778 ] [ 0.865296 0.107233 0.143778 ] [ 0.892767 0.365296 0.643778 ] [ 0.392767 0.865296 0.356222 ] [ 0.134704 0.892767 0.856222 ] [ 0.107233 0.634704 0.356222 ] [ 0.634704 0.392767 0.143778 ] [ 0.365296 0.607233 0.856222 ] [ 0.088261 0.546035 0.853375 ] [ 0.411739 0.953965 0.853375 ] [ 0.046035 0.911739 0.353375 ] [ 0.588261 0.046035 0.146625 ] [ 0.911739 0.453965 0.146625 ] [ 0.546035 0.411739 0.646625 ] [ 0.953965 0.088261 0.646625 ] [ 0.453965 0.588261 0.353375 ] ] } "species" { "source-value" [ "Nd" "Nd" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.06323795 "source-unit" "angstrom" } "c" { "source-value" 3.79570738 "source-unit" "angstrom" } }