{ "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" [ [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.162349 0.837651 0.521343 ] [ 0.162349 0.324697 0.521343 ] [ 0.675303 0.837651 0.521343 ] [ 0.324697 0.162349 0.021343 ] [ 0.333333 0.666667 0.100947 ] [ 0.666667 0.333333 0.600947 ] [ 0.666667 0.333333 0.899053 ] [ 0.333333 0.666667 0.399053 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.328403 0.964349 0.25 ] [ 0.364054 0.328403 0.75 ] [ 0.964349 0.635946 0.75 ] [ 0.035651 0.364054 0.25 ] [ 0.635946 0.671597 0.25 ] [ 0.364054 0.035651 0.75 ] [ 0.671597 0.635946 0.75 ] [ 0.671597 0.035651 0.75 ] [ 0.964349 0.328403 0.75 ] [ 0.035651 0.671597 0.25 ] [ 0.635946 0.964349 0.25 ] [ 0.328403 0.364054 0.25 ] [ 0.162349 0.324697 0.978657 ] [ 0.837651 0.162349 0.478657 ] [ 0.324697 0.162349 0.478657 ] [ 0.675303 0.837651 0.978657 ] [ 0.162349 0.837651 0.978657 ] [ 0.837651 0.675303 0.021343 ] [ 0.837651 0.162349 0.021343 ] [ 0.837651 0.675303 0.478657 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "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" 10.3594504305 "source-unit" "angstrom" } "c" { "source-value" 10.17587044 "source-unit" "angstrom" } }