{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.407531 0 ] [ 0.407531 0 0 ] [ 0.592469 0.592469 0 ] [ 0.521269 0.816541 0.5 ] [ 0.295272 0.478731 0.5 ] [ 0.478731 0.295272 0.5 ] [ 0.704728 0.183459 0.5 ] [ 0.833808 0.833808 0.5 ] [ 0 0.166192 0.5 ] [ 0.166192 0 0.5 ] [ 0.183459 0.704728 0.5 ] [ 0 0.747314 0 ] [ 0.816541 0.521269 0.5 ] [ 0.252686 0.252686 0 ] [ 0.747314 0 0 ] [ 0 0 0 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] ] } "species" { "source-value" [ "La" "La" "La" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.3336634335 "source-unit" "angstrom" } "c" { "source-value" 4.53365385 "source-unit" "angstrom" } }