{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.660441 0 0 ] [ 0.339559 0 0 ] [ 0 0.660441 0 ] [ 0.660441 0.660441 0 ] [ 0.339559 0.339559 0 ] [ 0 0.339559 0 ] [ 0.666667 0.333333 0.505162 ] [ 0.333333 0.666667 0.494838 ] [ 0 0 0 ] [ 0.563678 0.127356 0.750282 ] [ 0.77021 0.22979 0.267242 ] [ 0.789171 0.894585 0.227442 ] [ 0.436322 0.563678 0.249718 ] [ 0.77021 0.540419 0.267242 ] [ 0.105415 0.210829 0.227442 ] [ 0.22979 0.77021 0.732758 ] [ 0.563678 0.436322 0.750282 ] [ 0.22979 0.459581 0.732758 ] [ 0.127356 0.563678 0.249718 ] [ 0.210829 0.105415 0.772558 ] [ 0.105415 0.894585 0.227442 ] [ 0.540419 0.77021 0.732758 ] [ 0.436322 0.872644 0.249718 ] [ 0.894585 0.105415 0.772558 ] [ 0.872644 0.436322 0.750282 ] [ 0.459581 0.22979 0.267242 ] [ 0.894585 0.789171 0.772558 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "U" "U" "U" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.1161658243 "source-unit" "angstrom" } "c" { "source-value" 6.26608835 "source-unit" "angstrom" } }