{ "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 0.735053 ] [ 0 0 0.264947 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0.5 ] [ 0.446332 0.446332 0 ] [ 0.553668 0 0 ] [ 0 0.553668 0 ] [ 0.388722 0.388722 0.723658 ] [ 0.611278 0 0.723658 ] [ 0 0.611278 0.723658 ] [ 0.388722 0.388722 0.276342 ] [ 0.611278 0 0.276342 ] [ 0 0.611278 0.276342 ] [ 0.737237 0.737237 0.5 ] [ 0.262763 0 0.5 ] [ 0 0.262763 0.5 ] [ 0.770659 0.770659 0 ] [ 0.229341 0 0 ] [ 0 0.229341 0 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Mg" "Mg" "Mg" "H" "H" "H" "H" "H" "H" "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" 6.23951380783 "source-unit" "angstrom" } "c" { "source-value" 6.86027516 "source-unit" "angstrom" } }