{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.902852 ] [ 0.666667 0.333333 0.597148 ] [ 0.333333 0.666667 0.402852 ] [ 0.333333 0.666667 0.097148 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.666667 0.333333 0.06 ] [ 0.666667 0.333333 0.44 ] [ 0.333333 0.666667 0.94 ] [ 0.333333 0.666667 0.56 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Te" "Te" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 3.88616516 "source-unit" "angstrom" } "c" { "source-value" 14.35264859 "source-unit" "angstrom" } }