{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3" } "basis-atom-coordinates" { "source-value" [ [ 0.357365 0.126404 0.466501 ] [ 0.230961 0.357365 0.966501 ] [ 0.126404 0.769039 0.966501 ] [ 0.873596 0.230961 0.466501 ] [ 0.769039 0.642635 0.466501 ] [ 0.642635 0.873596 0.966501 ] [ 0.333333 0.666667 0.37651 ] [ 0.666667 0.333333 0.87651 ] [ 0 0 0.516671 ] [ 0 0 0.016671 ] [ 0.891285 0.477959 0.725152 ] [ 0.108715 0.522041 0.225152 ] [ 0.477959 0.586674 0.225152 ] [ 0.586674 0.108715 0.725152 ] [ 0.095813 0.824725 0.483503 ] [ 0.271088 0.095813 0.983503 ] [ 0.413326 0.891285 0.225152 ] [ 0.522041 0.413326 0.725152 ] [ 0.333333 0.666667 0.750709 ] [ 0.666667 0.333333 0.250709 ] [ 0.904187 0.175275 0.983503 ] [ 0.728912 0.904187 0.483503 ] [ 0.175275 0.271088 0.483503 ] [ 0.824725 0.728912 0.983503 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Si" "Si" "Ag" "Ag" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.7664332903 "source-unit" "angstrom" } "c" { "source-value" 6.07552843 "source-unit" "angstrom" } }