{ "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 ] [ 0.5 0 0.75 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0 0 0.717096 ] [ 0 0.5 0.967096 ] [ 0.5 0.5 0.782904 ] [ 0.5 0 0.032904 ] [ 0.5 0.5 0.217096 ] [ 0.5 0 0.467096 ] [ 0 0 0.282904 ] [ 0 0.5 0.532904 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Pr" "Pr" "Pr" "Pr" "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" 4.79687987 "source-unit" "angstrom" } "c" { "source-value" 11.26896884 "source-unit" "angstrom" } }