{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.423017 ] [ 0.666667 0.333333 0.923017 ] [ 0.666667 0.333333 0.576983 ] [ 0.333333 0.666667 0.076983 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.335893 0.167947 0.406656 ] [ 0.832053 0.167947 0.406656 ] [ 0.832053 0.664107 0.406656 ] [ 0.167947 0.335893 0.906656 ] [ 0.664107 0.832053 0.593344 ] [ 0.664107 0.832053 0.906656 ] [ 0.335893 0.167947 0.093344 ] [ 0.167947 0.335893 0.593344 ] [ 0.167947 0.832053 0.593344 ] [ 0.832053 0.167947 0.093344 ] [ 0.832053 0.664107 0.093344 ] [ 0.167947 0.832053 0.906656 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "B" "B" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.67706776536 "source-unit" "angstrom" } "c" { "source-value" 13.87929915 "source-unit" "angstrom" } }