{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3c1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.381742 ] [ 0.666667 0.333333 0.881742 ] [ 0.333333 0.666667 0.618258 ] [ 0.333333 0.666667 0.118258 ] [ 0.134033 0.811895 0.58121 ] [ 0.865967 0.188105 0.41879 ] [ 0.322138 0.134033 0.41879 ] [ 0.666667 0.333333 0.763604 ] [ 0.677862 0.865967 0.58121 ] [ 0.677862 0.811895 0.08121 ] [ 0.865967 0.677862 0.91879 ] [ 0.188105 0.865967 0.08121 ] [ 0.134033 0.322138 0.08121 ] [ 0.322138 0.188105 0.91879 ] [ 0.666667 0.333333 0.263604 ] [ 0.811895 0.134033 0.91879 ] [ 0.188105 0.322138 0.58121 ] [ 0.333333 0.666667 0.736396 ] [ 0.811895 0.677862 0.41879 ] [ 0.333333 0.666667 0.236396 ] ] } "species" { "source-value" [ "K" "K" "Fe" "Fe" "Mo" "Mo" "Mo" "Mo" "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" 5.75759306961 "source-unit" "angstrom" } "c" { "source-value" 14.815984 "source-unit" "angstrom" } }