{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nbm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.219931 0.5 0 ] [ 0.5 0.780069 0 ] [ 0.780069 0.5 0 ] [ 0 0.280069 0 ] [ 0.280069 0 0 ] [ 0.719931 0 0 ] [ 0 0.719931 0 ] [ 0.5 0.219931 0 ] [ 0.955335 0.805205 0.237854 ] [ 0.044665 0.194795 0.237854 ] [ 0.194795 0.955335 0.237854 ] [ 0.805205 0.044665 0.237854 ] [ 0.805205 0.955335 0.762146 ] [ 0.955335 0.194795 0.762146 ] [ 0.044665 0.805205 0.762146 ] [ 0.194795 0.044665 0.762146 ] [ 0.544665 0.694795 0.762146 ] [ 0.455335 0.305205 0.762146 ] [ 0.305205 0.544665 0.762146 ] [ 0.694795 0.455335 0.762146 ] [ 0.694795 0.544665 0.237854 ] [ 0.544665 0.305205 0.237854 ] [ 0.624448 0.875552 0.102363 ] [ 0.875552 0.375552 0.102363 ] [ 0.124448 0.624448 0.102363 ] [ 0.375552 0.124448 0.102363 ] [ 0.375552 0.875552 0.897637 ] [ 0.624448 0.124448 0.897637 ] [ 0.875552 0.624448 0.897637 ] [ 0.124448 0.375552 0.897637 ] [ 0.305205 0.455335 0.237854 ] [ 0.455335 0.694795 0.237854 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Sr" "Sr" "V" "V" "V" "V" "V" "V" "V" "V" "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" 11.09957238 "source-unit" "angstrom" } "c" { "source-value" 5.44315328 "source-unit" "angstrom" } }