{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4b2" } "basis-atom-coordinates" { "source-value" [ [ 0.249333 0.492589 0.249001 ] [ 0.507411 0.249333 0.750999 ] [ 0.750667 0.507411 0.249001 ] [ 0.749333 0.007411 0.249001 ] [ 0.250667 0.992589 0.249001 ] [ 0.007411 0.250667 0.750999 ] [ 0.992589 0.749333 0.750999 ] [ 0.492589 0.750667 0.750999 ] [ 0.251466 0.751466 0 ] [ 0.244716 0.255284 0.5 ] [ 0.748534 0.248534 0 ] [ 0.5 0 0 ] [ 0.755284 0.744716 0.5 ] [ 0.248534 0.251466 0 ] [ 0 0 0.5 ] [ 0.744716 0.244716 0.5 ] [ 0.255284 0.755284 0.5 ] [ 0.751466 0.748534 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 7.91620866 "source-unit" "angstrom" } "c" { "source-value" 5.59223666 "source-unit" "angstrom" } }