{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4mm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.861613 ] [ 0.5 0.5 0.150413 ] [ 0 0 0.361613 ] [ 0 0 0.650413 ] [ 0 0 0.012461 ] [ 0.5 0.5 0.512461 ] [ 0 0 0.173215 ] [ 0.5 0.5 0.673215 ] [ 0 0 0.83999 ] [ 0 0.5 0.999804 ] [ 0.5 0 0.999804 ] [ 0.5 0.5 0.33999 ] [ 0.5 0 0.499804 ] [ 0 0.5 0.499804 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Al" "Al" "N" "N" "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" 3.73607303708 "source-unit" "angstrom" } "c" { "source-value" 12.5871059263 "source-unit" "angstrom" } }