{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.203176 0 0 ] [ 0 0 0.203176 ] [ 0 0 0.796824 ] [ 0 0.203176 0 ] [ 0 0.796824 0 ] [ 0.796824 0 0 ] [ 0.203176 0.5 0.5 ] [ 0 0.5 0.703176 ] [ 0 0.5 0.296824 ] [ 0 0.703176 0.5 ] [ 0 0.296824 0.5 ] [ 0.796824 0.5 0.5 ] [ 0.703176 0 0.5 ] [ 0.5 0 0.703176 ] [ 0.5 0 0.296824 ] [ 0.5 0.203176 0.5 ] [ 0.5 0.796824 0.5 ] [ 0.296824 0 0.5 ] [ 0.703176 0.5 0 ] [ 0.5 0.5 0.203176 ] [ 0.5 0.5 0.796824 ] [ 0.5 0.703176 0 ] [ 0.5 0.296824 0 ] [ 0.296824 0.5 0 ] [ 0 0 0.5 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0 ] [ 0 0.75 0.25 ] [ 0.75 0 0.75 ] [ 0.25 0 0.75 ] [ 0 0.75 0.75 ] [ 0 0.5 0 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0.5 ] [ 0 0.25 0.75 ] [ 0.75 0.5 0.25 ] [ 0.25 0.5 0.25 ] [ 0 0.25 0.25 ] [ 0.5 0 0 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0.5 ] [ 0.5 0.75 0.75 ] [ 0.25 0 0.25 ] [ 0.75 0 0.25 ] [ 0.5 0.75 0.25 ] [ 0.5 0.5 0.5 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0 ] [ 0.5 0.25 0.25 ] [ 0.25 0.5 0.75 ] [ 0.75 0.5 0.75 ] [ 0.5 0.25 0.75 ] [ 0.831737 0.831737 0.168263 ] [ 0.668263 0.168263 0.668263 ] [ 0.831737 0.168263 0.831737 ] [ 0.331737 0.831737 0.331737 ] [ 0.168263 0.831737 0.168263 ] [ 0.168263 0.168263 0.831737 ] [ 0.668263 0.831737 0.331737 ] [ 0.116611 0.883389 0.383389 ] [ 0.616611 0.116611 0.883389 ] [ 0.883389 0.883389 0.383389 ] [ 0.616611 0.883389 0.116611 ] [ 0.116611 0.116611 0.616611 ] [ 0.383389 0.116611 0.883389 ] [ 0.383389 0.883389 0.116611 ] [ 0.883389 0.116611 0.616611 ] [ 0.331737 0.168263 0.668263 ] [ 0.831737 0.331737 0.668263 ] [ 0.668263 0.668263 0.168263 ] [ 0.831737 0.668263 0.331737 ] [ 0.331737 0.331737 0.831737 ] [ 0.168263 0.331737 0.668263 ] [ 0.168263 0.668263 0.331737 ] [ 0.668263 0.331737 0.831737 ] [ 0.116611 0.383389 0.883389 ] [ 0.616611 0.616611 0.383389 ] [ 0.883389 0.383389 0.883389 ] [ 0.616611 0.383389 0.616611 ] [ 0.116611 0.616611 0.116611 ] [ 0.383389 0.616611 0.383389 ] [ 0.383389 0.383389 0.616611 ] [ 0.883389 0.616611 0.116611 ] [ 0.331737 0.668263 0.168263 ] [ 0.331737 0.831737 0.668263 ] [ 0.168263 0.168263 0.168263 ] [ 0.331737 0.168263 0.331737 ] [ 0.831737 0.831737 0.831737 ] [ 0.668263 0.831737 0.668263 ] [ 0.668263 0.168263 0.331737 ] [ 0.168263 0.831737 0.831737 ] [ 0.616611 0.883389 0.883389 ] [ 0.116611 0.116611 0.383389 ] [ 0.383389 0.883389 0.883389 ] [ 0.116611 0.883389 0.616611 ] [ 0.616611 0.116611 0.116611 ] [ 0.883389 0.116611 0.383389 ] [ 0.883389 0.883389 0.616611 ] [ 0.383389 0.116611 0.116611 ] [ 0.831737 0.168263 0.168263 ] [ 0.331737 0.331737 0.168263 ] [ 0.168263 0.668263 0.668263 ] [ 0.331737 0.668263 0.831737 ] [ 0.831737 0.331737 0.331737 ] [ 0.668263 0.331737 0.168263 ] [ 0.668263 0.668263 0.831737 ] [ 0.168263 0.331737 0.331737 ] [ 0.616611 0.383389 0.383389 ] [ 0.116611 0.616611 0.883389 ] [ 0.383389 0.383389 0.383389 ] [ 0.116611 0.383389 0.116611 ] [ 0.616611 0.616611 0.616611 ] [ 0.883389 0.616611 0.883389 ] [ 0.883389 0.383389 0.116611 ] [ 0.383389 0.616611 0.616611 ] [ 0.831737 0.668263 0.668263 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 11.2600157775 "source-unit" "angstrom" } }