{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fm3" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.811677 0 0 ] [ 0 0.811677 0 ] [ 0 0 0.188323 ] [ 0 0.188323 0 ] [ 0 0 0.811677 ] [ 0.188323 0 0 ] [ 0.811677 0.5 0.5 ] [ 0 0.311677 0.5 ] [ 0 0.5 0.688323 ] [ 0 0.688323 0.5 ] [ 0 0.5 0.311677 ] [ 0.188323 0.5 0.5 ] [ 0.311677 0 0.5 ] [ 0.5 0.811677 0.5 ] [ 0.5 0 0.688323 ] [ 0.5 0.188323 0.5 ] [ 0.5 0 0.311677 ] [ 0.688323 0 0.5 ] [ 0.311677 0.5 0 ] [ 0.5 0.311677 0 ] [ 0.5 0.5 0.188323 ] [ 0.5 0.688323 0 ] [ 0.5 0.5 0.811677 ] [ 0.688323 0.5 0 ] [ 0 0.900335 0.750972 ] [ 0.900335 0.750972 0 ] [ 0.099665 0.750972 0 ] [ 0 0.099665 0.249028 ] [ 0.249028 0 0.099665 ] [ 0 0.900335 0.249028 ] [ 0.750972 0 0.900335 ] [ 0.249028 0 0.900335 ] [ 0.900335 0.249028 0 ] [ 0.099665 0.249028 0 ] [ 0 0.099665 0.750972 ] [ 0.750972 0 0.099665 ] [ 0 0.400335 0.250972 ] [ 0.900335 0.250972 0.5 ] [ 0.099665 0.250972 0.5 ] [ 0 0.599665 0.749028 ] [ 0.249028 0.5 0.599665 ] [ 0 0.400335 0.749028 ] [ 0.750972 0.5 0.400335 ] [ 0.249028 0.5 0.400335 ] [ 0.900335 0.749028 0.5 ] [ 0.099665 0.749028 0.5 ] [ 0 0.599665 0.250972 ] [ 0.750972 0.5 0.599665 ] [ 0.5 0.900335 0.250972 ] [ 0.400335 0.750972 0.5 ] [ 0.599665 0.750972 0.5 ] [ 0.5 0.099665 0.749028 ] [ 0.749028 0 0.599665 ] [ 0.5 0.900335 0.749028 ] [ 0.250972 0 0.400335 ] [ 0.749028 0 0.400335 ] [ 0.400335 0.249028 0.5 ] [ 0.599665 0.249028 0.5 ] [ 0.5 0.099665 0.250972 ] [ 0.250972 0 0.599665 ] [ 0.5 0.400335 0.750972 ] [ 0.400335 0.250972 0 ] [ 0.599665 0.250972 0 ] [ 0.5 0.599665 0.249028 ] [ 0.749028 0.5 0.099665 ] [ 0.5 0.400335 0.249028 ] [ 0.250972 0.5 0.900335 ] [ 0.749028 0.5 0.900335 ] [ 0.400335 0.749028 0 ] [ 0.599665 0.749028 0 ] [ 0.5 0.599665 0.750972 ] [ 0.250972 0.5 0.099665 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Ba" "Ba" "Ba" "Ba" "Co" "Co" "Co" "Co" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.8330924056 "source-unit" "angstrom" } }