{ "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" [ [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.296192 0.905666 0.75 ] [ 0.703808 0.094334 0.25 ] [ 0.609474 0.703808 0.75 ] [ 0.390526 0.296192 0.25 ] [ 0.094334 0.390526 0.75 ] [ 0.905666 0.609474 0.25 ] [ 0.783066 0.809067 0.75 ] [ 0.969394 0.438364 0.75 ] [ 0.46897 0.030606 0.75 ] [ 0.190933 0.973999 0.75 ] [ 0.973999 0.783066 0.25 ] [ 0.462036 0.262816 0.450863 ] [ 0.19922 0.462036 0.950863 ] [ 0.53103 0.969394 0.25 ] [ 0.537964 0.737184 0.950863 ] [ 0.030606 0.561636 0.25 ] [ 0.026001 0.216934 0.75 ] [ 0.262816 0.80078 0.549137 ] [ 0.80078 0.537964 0.450863 ] [ 0.462036 0.262816 0.049137 ] [ 0.537964 0.737184 0.549137 ] [ 0.262816 0.80078 0.950863 ] [ 0.80078 0.537964 0.049137 ] [ 0.561636 0.53103 0.75 ] [ 0.438364 0.46897 0.25 ] [ 0.19922 0.462036 0.549137 ] [ 0.737184 0.19922 0.049137 ] [ 0.216934 0.190933 0.25 ] [ 0.737184 0.19922 0.450863 ] [ 0.809067 0.026001 0.25 ] ] } "species" { "source-value" [ "Yb" "Yb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "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" 9.43058285689 "source-unit" "angstrom" } "c" { "source-value" 5.87820529 "source-unit" "angstrom" } }