{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.232805 0 0 ] [ 0 0.610502 0.5 ] [ 0.389498 0.389498 0.5 ] [ 0.767195 0.767195 0 ] [ 0 0.232805 0 ] [ 0.610502 0 0.5 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Mn" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.24072506606 "source-unit" "angstrom" } "c" { "source-value" 4.25792055 "source-unit" "angstrom" } }