{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0.460514 0.25 0.133078 ] [ 0.25 0.460514 0.633078 ] [ 0.25 0.039486 0.633078 ] [ 0.960514 0.75 0.866922 ] [ 0.539486 0.75 0.866922 ] [ 0.039486 0.25 0.133078 ] [ 0.75 0.960514 0.366922 ] [ 0.75 0.539486 0.366922 ] [ 0.506402 0.25 0.400505 ] [ 0.993598 0.25 0.400505 ] [ 0.75 0.006402 0.099495 ] [ 0.25 0.993598 0.900505 ] [ 0.25 0.506402 0.900505 ] [ 0.493598 0.75 0.599495 ] [ 0.006402 0.75 0.599495 ] [ 0.75 0.493598 0.099495 ] [ 0.25 0.535577 0.351314 ] [ 0.25 0.964423 0.351314 ] [ 0.035577 0.75 0.148686 ] [ 0.535577 0.25 0.851314 ] [ 0.964423 0.25 0.851314 ] [ 0.75 0.035577 0.648686 ] [ 0.75 0.464423 0.648686 ] [ 0.464423 0.75 0.148686 ] [ 0.75 0.75 0.508469 ] [ 0.75 0.75 0.008469 ] [ 0.25 0.25 0.491531 ] [ 0.25 0.25 0.991531 ] [ 0.75 0.25 0.507292 ] [ 0.25 0.75 0.007292 ] [ 0.25 0.75 0.492708 ] [ 0.75 0.25 0.992708 ] [ 0.007546 0.992454 0.75 ] [ 0.507546 0.007546 0.25 ] [ 0.992454 0.492454 0.25 ] [ 0.492454 0.507546 0.75 ] [ 0.992454 0.007546 0.25 ] [ 0.492454 0.992454 0.75 ] [ 0.007546 0.507546 0.75 ] [ 0.507546 0.492454 0.25 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.87946165 "source-unit" "angstrom" } "c" { "source-value" 12.48326012 "source-unit" "angstrom" } }