{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.222687 0.075475 0.5 ] [ 0.777313 0.924525 0.5 ] [ 0.075475 0.777313 0.5 ] [ 0.924525 0.222687 0.5 ] [ 0.075475 0.222687 0 ] [ 0.777313 0.075475 0 ] [ 0.222687 0.924525 0 ] [ 0.924525 0.777313 0 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0.722687 0.575475 0 ] [ 0.277313 0.424525 0 ] [ 0.575475 0.277313 0 ] [ 0.424525 0.722687 0 ] [ 0.575475 0.722687 0.5 ] [ 0.277313 0.575475 0.5 ] [ 0.722687 0.424525 0.5 ] [ 0.424525 0.277313 0.5 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.665666 0.165666 0.5 ] [ 0.834334 0.665666 0.5 ] [ 0.665666 0.834334 0 ] [ 0.834334 0.334334 0 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.165666 0.665666 0 ] [ 0.334334 0.165666 0 ] [ 0.165666 0.334334 0.5 ] [ 0.334334 0.834334 0.5 ] [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.238498808 "source-unit" "angstrom" } "c" { "source-value" 5.18560005876 "source-unit" "angstrom" } }