{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.333333 0.666667 0.696231 ] [ 0.666667 0.333333 0.303769 ] [ 0.142206 0.780744 0.791146 ] [ 0.638538 0.857794 0.791146 ] [ 0.333333 0.666667 0.427187 ] [ 0.780744 0.638538 0.208854 ] [ 0.219256 0.361462 0.791146 ] [ 0.666667 0.333333 0.572813 ] [ 0.361462 0.142206 0.208854 ] [ 0.857794 0.219256 0.208854 ] ] } "species" { "source-value" [ "Pr" "Re" "Re" "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" 6.2725727 "source-unit" "angstrom" } "c" { "source-value" 6.44950572 "source-unit" "angstrom" } }