{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.20872 0.921889 0.25 ] [ 0.28683 0.20872 0.75 ] [ 0.921889 0.71317 0.75 ] [ 0.078111 0.28683 0.25 ] [ 0.79128 0.078111 0.75 ] [ 0.71317 0.79128 0.25 ] [ 0.666667 0.333333 0.496646 ] [ 0.333333 0.666667 0.996646 ] [ 0.333333 0.666667 0.503354 ] [ 0.666667 0.333333 0.003354 ] [ 0.665075 0.095746 0.895524 ] [ 0.569329 0.665075 0.395524 ] [ 0.095746 0.430671 0.395524 ] [ 0.904254 0.569329 0.895524 ] [ 0.430671 0.334925 0.895524 ] [ 0.334925 0.904254 0.395524 ] [ 0.334925 0.904254 0.104476 ] [ 0.430671 0.334925 0.604476 ] [ 0.904254 0.569329 0.604476 ] [ 0.095746 0.430671 0.104476 ] [ 0.569329 0.665075 0.104476 ] [ 0.665075 0.095746 0.604476 ] [ 0.736552 0.807559 0.75 ] [ 0.928993 0.736552 0.25 ] [ 0.807559 0.071007 0.25 ] [ 0.192441 0.928993 0.75 ] [ 0.071007 0.263448 0.75 ] [ 0.263448 0.192441 0.25 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Sb" "Sb" "Sb" "Sb" "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" 7.19718485096 "source-unit" "angstrom" } "c" { "source-value" 10.05123757 "source-unit" "angstrom" } }