{ "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" [ [ 0.671796 0.671796 0 ] [ 0.328204 0 0 ] [ 0 0.328204 0 ] [ 0.599746 0 0.5 ] [ 0 0.599746 0.5 ] [ 0.400254 0.400254 0.5 ] [ 0 0.683849 0.271416 ] [ 0.316151 0.316151 0.728584 ] [ 0.683849 0 0.271416 ] [ 0.42043 0 0.5 ] [ 0 0.683849 0.728584 ] [ 0.683849 0 0.728584 ] [ 0.316151 0.316151 0.271416 ] [ 0.57957 0.57957 0.5 ] [ 0 0.42043 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] ] } "species" { "source-value" [ "La" "La" "La" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.29338262304 "source-unit" "angstrom" } "c" { "source-value" 4.97384198 "source-unit" "angstrom" } }