{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.5 0 0.5 ] [ 0.5 0.25 0.125 ] [ 0.5 0.75 0.875 ] [ 0 0.75 0.625 ] [ 0 0.25 0.375 ] [ 0 0.033283 0.766205 ] [ 0.783283 0.25 0.983795 ] [ 0.216717 0.25 0.983795 ] [ 0 0.966717 0.233795 ] [ 0 0.533283 0.233795 ] [ 0.216717 0.75 0.016205 ] [ 0 0.466717 0.766205 ] [ 0.783283 0.75 0.016205 ] [ 0.5 0.533283 0.266205 ] [ 0.283283 0.75 0.483795 ] [ 0.716717 0.75 0.483795 ] [ 0.5 0.466717 0.733795 ] [ 0.5 0.033283 0.733795 ] [ 0.716717 0.25 0.516205 ] [ 0.5 0.966717 0.266205 ] [ 0.283283 0.25 0.516205 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Cd" "Cd" "Cd" "Cd" "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" 5.95295589974 "source-unit" "angstrom" } "c" { "source-value" 9.96006156906 "source-unit" "angstrom" } }