{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.826011 ] [ 0 0 0.173989 ] [ 0 0 0 ] [ 0.5 0.5 0.326011 ] [ 0.5 0.5 0.673989 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.084504 ] [ 0.5 0.5 0.915496 ] [ 0 0 0.584504 ] [ 0 0 0.415496 ] [ 0.5 0.5 0.195356 ] [ 0.5 0.5 0.804644 ] [ 0 0 0.695356 ] [ 0 0 0.304644 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "Si" "Si" "Si" "Si" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.61077723011 "source-unit" "angstrom" } "c" { "source-value" 17.1336794769 "source-unit" "angstrom" } }