{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4cm" } "basis-atom-coordinates" { "source-value" [ [ 0.173655 0.673655 0.976749 ] [ 0.173655 0.326345 0.476749 ] [ 0.826345 0.673655 0.476749 ] [ 0.826345 0.326345 0.976749 ] [ 0.673655 0.173655 0.476749 ] [ 0.673655 0.826345 0.976749 ] [ 0.326345 0.173655 0.976749 ] [ 0.326345 0.826345 0.476749 ] [ 0 0 0.672903 ] [ 0 0 0.172903 ] [ 0.5 0.5 0.172903 ] [ 0.5 0.5 0.672903 ] [ 0.804911 0.891276 0.660858 ] [ 0.891276 0.804911 0.160858 ] [ 0.195089 0.891276 0.160858 ] [ 0.195089 0.108724 0.660858 ] [ 0.108724 0.195089 0.160858 ] [ 0.891276 0.195089 0.660858 ] [ 0.108724 0.804911 0.660858 ] [ 0.804911 0.108724 0.160858 ] [ 0.304911 0.391276 0.160858 ] [ 0.391276 0.304911 0.660858 ] [ 0.695089 0.391276 0.660858 ] [ 0.695089 0.608724 0.160858 ] [ 0.608724 0.695089 0.660858 ] [ 0.391276 0.695089 0.160858 ] [ 0.608724 0.304911 0.160858 ] [ 0.304911 0.608724 0.660858 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Pd" "Pd" "Pd" "Pd" "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" 9.13579440645 "source-unit" "angstrom" } "c" { "source-value" 5.69728446373 "source-unit" "angstrom" } }