{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.335027 ] [ 0 0 0 ] [ 0.333333 0.666667 0.664973 ] [ 0.333333 0.666667 0.167672 ] [ 0.666667 0.333333 0.832328 ] [ 0 0 0.5 ] [ 0.353773 0.176887 0.687569 ] [ 0.823113 0.646227 0.687569 ] [ 0.176887 0.353773 0.312431 ] [ 0 0.5 0 ] [ 0.176887 0.823113 0.312431 ] [ 0.646227 0.823113 0.312431 ] [ 0.823113 0.176887 0.687569 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ta" "Ta" "Cd" "O" "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" 5.95205882234 "source-unit" "angstrom" } "c" { "source-value" 7.36479078 "source-unit" "angstrom" } }