{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6c2" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0.5 ] [ 0.333333 0.666667 0 ] [ 0.060251 0.777057 0.75 ] [ 0.060251 0.283195 0.25 ] [ 0.716805 0.777057 0.25 ] [ 0.222943 0.939749 0.25 ] [ 0.222943 0.283195 0.75 ] [ 0.716805 0.939749 0.75 ] [ 0.079619 0.674038 0.620327 ] [ 0.325962 0.920381 0.379673 ] [ 0.325962 0.405581 0.620327 ] [ 0.594419 0.920381 0.620327 ] [ 0.325962 0.405581 0.879673 ] [ 0.594419 0.920381 0.879673 ] [ 0.079619 0.674038 0.879673 ] [ 0.594419 0.674038 0.120327 ] [ 0.079619 0.405581 0.120327 ] [ 0.079619 0.405581 0.379673 ] [ 0.238579 0.188121 0.25 ] [ 0.949542 0.761421 0.25 ] [ 0.811879 0.050458 0.25 ] [ 0.811879 0.761421 0.75 ] [ 0.949542 0.188121 0.75 ] [ 0.238579 0.050458 0.75 ] [ 0.325962 0.920381 0.120327 ] [ 0.594419 0.674038 0.379673 ] ] } "species" { "source-value" [ "K" "K" "Mg" "Mg" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.71764469836 "source-unit" "angstrom" } "c" { "source-value" 9.93288196 "source-unit" "angstrom" } }