{ "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 0.5 0.752737 ] [ 0.5 0 0.752737 ] [ 0.5 0 0.252737 ] [ 0 0.5 0.252737 ] [ 0.5 0.5 0.99999 ] [ 0 0 0.49999 ] [ 0 0 0.020197 ] [ 0.5 0.5 0.520197 ] [ 0 0 0.221891 ] [ 0.5 0.5 0.721891 ] [ 0.229993 0.770007 0.995761 ] [ 0.770007 0.770007 0.995761 ] [ 0.229993 0.229993 0.995761 ] [ 0.770007 0.229993 0.995761 ] [ 0 0 0.769402 ] [ 0.729993 0.270007 0.495761 ] [ 0.270007 0.270007 0.495761 ] [ 0.729993 0.729993 0.495761 ] [ 0.270007 0.729993 0.495761 ] [ 0.5 0.5 0.269402 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Na" "Na" "Ti" "Ti" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.97906456016 "source-unit" "angstrom" } "c" { "source-value" 8.50601921239 "source-unit" "angstrom" } }