{ "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 ] [ 0.666667 0.333333 0.70303 ] [ 0.333333 0.666667 0.29697 ] [ 0.347069 0.210462 0.797577 ] [ 0.210462 0.863393 0.202423 ] [ 0.136607 0.347069 0.202423 ] [ 0.666667 0.333333 0.425036 ] [ 0.333333 0.666667 0.574964 ] [ 0.863393 0.652931 0.797577 ] [ 0.789538 0.136607 0.797577 ] [ 0.652931 0.789538 0.202423 ] ] } "species" { "source-value" [ "Er" "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" 6.05484086 "source-unit" "angstrom" } "c" { "source-value" 6.27779345 "source-unit" "angstrom" } }