{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.3812 0.429349 0.5 ] [ 0.148275 0.273525 0 ] [ 0.125251 0.851725 0 ] [ 0.726475 0.874749 0 ] [ 0.881605 0.785598 0.5 ] [ 0.903993 0.118395 0.5 ] [ 0.04815 0.6188 0.5 ] [ 0.940606 0.376466 0 ] [ 0.214402 0.096007 0.5 ] [ 0.570651 0.95185 0.5 ] [ 0.623534 0.564141 0 ] [ 0.435859 0.059394 0 ] [ 0.599557 0.704724 0.5 ] [ 0.105166 0.400443 0.5 ] [ 0.890836 0.59866 0 ] [ 0.295276 0.894834 0.5 ] [ 0 0 0 ] [ 0.707824 0.109164 0 ] [ 0.40134 0.292176 0 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.06819954791 "source-unit" "angstrom" } "c" { "source-value" 3.72566187 "source-unit" "angstrom" } }