{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42d" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0.875947 0.75 0.625 ] [ 0.75 0.375947 0.875 ] [ 0.124053 0.25 0.625 ] [ 0.25 0.624053 0.875 ] [ 0.375947 0.25 0.125 ] [ 0.25 0.875947 0.375 ] [ 0.624053 0.75 0.125 ] [ 0.75 0.124053 0.375 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "P" "P" "P" "P" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.99480138759 "source-unit" "angstrom" } "c" { "source-value" 7.07494640886 "source-unit" "angstrom" } }