{ "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 0 0 ] [ 0.333333 0.666667 0.705759 ] [ 0.666667 0.333333 0.294241 ] [ 0.832443 0.167557 0.189923 ] [ 0.832443 0.664885 0.189923 ] [ 0.335115 0.167557 0.189923 ] [ 0.333333 0.666667 0.440432 ] [ 0.666667 0.333333 0.559568 ] [ 0.167557 0.832443 0.810077 ] [ 0.167557 0.335115 0.810077 ] [ 0.664885 0.832443 0.810077 ] ] } "species" { "source-value" [ "Mg" "Al" "Al" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.23272852958 "source-unit" "angstrom" } "c" { "source-value" 6.04250357 "source-unit" "angstrom" } }