{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.475721 0.524279 0.49886 ] [ 0.951442 0.475721 0.99886 ] [ 0.524279 0.048558 0.99886 ] [ 0.048558 0.524279 0.49886 ] [ 0.475721 0.951442 0.49886 ] [ 0.524279 0.475721 0.99886 ] [ 0.794238 0.897119 0.470436 ] [ 0 0 0.718576 ] [ 0.672888 0.836444 0.160411 ] [ 0.897119 0.794238 0.970436 ] [ 0.836444 0.163556 0.660411 ] [ 0.163556 0.836444 0.160411 ] [ 0.205762 0.102881 0.970436 ] [ 0.163556 0.327112 0.160411 ] [ 0 0 0.218576 ] [ 0.333333 0.666667 0.838682 ] [ 0.836444 0.672888 0.660411 ] [ 0.897119 0.102881 0.970436 ] [ 0.102881 0.205762 0.470436 ] [ 0.102881 0.897119 0.470436 ] [ 0.327112 0.163556 0.660411 ] [ 0.666667 0.333333 0.338682 ] [ 0.333333 0.666667 0.196262 ] [ 0.168998 0.337996 0.78842 ] [ 0.662004 0.831002 0.78842 ] [ 0.337996 0.168998 0.28842 ] [ 0.831002 0.662004 0.28842 ] [ 0.666667 0.333333 0.696262 ] [ 0.168998 0.831002 0.78842 ] [ 0.831002 0.168998 0.28842 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.14353332892 "source-unit" "angstrom" } "c" { "source-value" 7.75314245 "source-unit" "angstrom" } }