{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.602514 0.551695 0.75 ] [ 0.050819 0.602514 0.25 ] [ 0.397486 0.448305 0.25 ] [ 0.448305 0.050819 0.75 ] [ 0.949181 0.397486 0.75 ] [ 0.551695 0.949181 0.25 ] [ 0.667439 0.743138 0.25 ] [ 0.256862 0.924301 0.25 ] [ 0.924301 0.667439 0.75 ] [ 0.332561 0.256862 0.75 ] [ 0.743138 0.075699 0.75 ] [ 0.075699 0.332561 0.25 ] ] } "species" { "source-value" [ "Hf" "Hf" "B" "B" "B" "B" "B" "B" "B" "B" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.62369185989 "source-unit" "angstrom" } "c" { "source-value" 3.52259911 "source-unit" "angstrom" } }