{ "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 ] [ 0.718553 0.862052 0.75 ] [ 0.856501 0.718553 0.25 ] [ 0.143499 0.281447 0.75 ] [ 0.281447 0.137948 0.25 ] [ 0.862052 0.143499 0.25 ] [ 0.137948 0.856501 0.75 ] [ 0.913598 0.601223 0.25 ] [ 0.601223 0.687625 0.75 ] [ 0.086402 0.398777 0.75 ] [ 0.398777 0.312375 0.25 ] [ 0.687625 0.086402 0.25 ] [ 0.312375 0.913598 0.75 ] ] } "species" { "source-value" [ "Er" "Er" "H" "H" "H" "H" "H" "H" "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" 6.32688368127 "source-unit" "angstrom" } "c" { "source-value" 3.48495925 "source-unit" "angstrom" } }