{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_222" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.666667 ] [ 0 0 0.833333 ] [ 0 0 0.5 ] [ 0 0 0.166667 ] [ 0.5 0.5 0.333333 ] [ 0.5 0 0 ] [ 0.204885 0.602443 0.166667 ] [ 0.602443 0.204885 0.5 ] [ 0.602443 0.397557 0.833333 ] [ 0.795115 0.397557 0.166667 ] [ 0.397557 0.602443 0.833333 ] [ 0.397557 0.795115 0.5 ] [ 0.5 0.5 0.044835 ] [ 0.5 0 0.711502 ] [ 0.5 0.5 0.621831 ] [ 0.5 0 0.288498 ] [ 0 0.5 0.378169 ] [ 0 0.5 0.955165 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "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" 5.30786315595 "source-unit" "angstrom" } "c" { "source-value" 9.48844591 "source-unit" "angstrom" } }