{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/a" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.25 0.875 ] [ 0.5 0.75 0.125 ] [ 0 0.75 0.375 ] [ 0 0.25 0.625 ] [ 0 0.75 0.875 ] [ 0 0.25 0.125 ] [ 0.5 0.25 0.375 ] [ 0.5 0.75 0.625 ] [ 0.23514 0.6099 0.957239 ] [ 0.1401 0.48514 0.207239 ] [ 0.8599 0.01486 0.207239 ] [ 0.76486 0.8901 0.957239 ] [ 0.23514 0.1099 0.042761 ] [ 0.1401 0.98514 0.792761 ] [ 0.8599 0.51486 0.792761 ] [ 0.76486 0.3901 0.042761 ] [ 0.73514 0.1099 0.457239 ] [ 0.6401 0.98514 0.707239 ] [ 0.3599 0.51486 0.707239 ] [ 0.26486 0.3901 0.457239 ] [ 0.73514 0.6099 0.542761 ] [ 0.6401 0.48514 0.292761 ] [ 0.3599 0.01486 0.292761 ] [ 0.26486 0.8901 0.542761 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "W" "W" "W" "W" "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" 5.56797964511 "source-unit" "angstrom" } "c" { "source-value" 12.250597562 "source-unit" "angstrom" } }