{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6" } "basis-atom-coordinates" { "source-value" [ [ 0.007424 0.375054 0 ] [ 0.36763 0.992576 0 ] [ 0.624946 0.63237 0 ] [ 0.666667 0.333333 0.5 ] [ 0 0 0 ] [ 0.333333 0.666667 0.5 ] [ 0.536445 0.148828 0.5 ] [ 0.517987 0.716843 0.5 ] [ 0.283157 0.801144 0.5 ] [ 0.186064 0.073008 0 ] [ 0.886944 0.813936 0 ] [ 0.926992 0.113056 0 ] [ 0.198856 0.482013 0.5 ] [ 0.851172 0.387616 0.5 ] [ 0.612384 0.463555 0.5 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "B" "B" "B" "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" 8.40139453638 "source-unit" "angstrom" } "c" { "source-value" 3.07303413 "source-unit" "angstrom" } }