{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6" } "basis-atom-coordinates" { "source-value" [ [ 0.290975 0.008069 0.5 ] [ 0.717094 0.709025 0.5 ] [ 0.991931 0.282906 0.5 ] [ 0.630599 0.995092 0 ] [ 0.004908 0.635507 0 ] [ 0.364493 0.369401 0 ] [ 0 0 0 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0.5 ] [ 0.187743 0.063191 0 ] [ 0.936809 0.124553 0 ] [ 0.875447 0.812257 0 ] [ 0.249595 0.476367 0.5 ] [ 0.226772 0.750405 0.5 ] [ 0.523633 0.773228 0.5 ] [ 0.582014 0.438661 0.5 ] [ 0.856647 0.417986 0.5 ] [ 0.561339 0.143353 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Cd" "Cd" "Cd" "B" "B" "B" "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" 8.43390639211 "source-unit" "angstrom" } "c" { "source-value" 3.31594672 "source-unit" "angstrom" } }