{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62c" } "basis-atom-coordinates" { "source-value" [ [ 0.021814 0.628484 0.75 ] [ 0.371516 0.39333 0.75 ] [ 0.60667 0.978186 0.75 ] [ 0.978186 0.60667 0.25 ] [ 0.39333 0.371516 0.25 ] [ 0.628484 0.021814 0.25 ] [ 0.277527 0 0 ] [ 0.722473 0.722473 0.5 ] [ 0 0.277527 0.5 ] [ 0 0.277527 0 ] [ 0.722473 0.722473 0 ] [ 0.277527 0 0.5 ] [ 0.666667 0.333333 0.533467 ] [ 0.666667 0.333333 0.966533 ] [ 0.333333 0.666667 0.466533 ] [ 0.333333 0.666667 0.033467 ] [ 0 0 0.75 ] [ 0 0 0.25 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.76828258084 "source-unit" "angstrom" } "c" { "source-value" 7.00413449 "source-unit" "angstrom" } }