{ "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" [ [ 0.3207 0.292128 0.5 ] [ 0.707872 0.028572 0.5 ] [ 0.971428 0.6793 0.5 ] [ 0.34217 0.966924 0 ] [ 0.624754 0.65783 0 ] [ 0.033076 0.375246 0 ] [ 0 0 0 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0.5 ] [ 0.488173 0.235487 0 ] [ 0.764513 0.252686 0 ] [ 0.747314 0.511827 0 ] [ 0.821213 0.909855 0 ] [ 0.090145 0.911358 0 ] [ 0.462755 0.623613 0.5 ] [ 0.160858 0.537245 0.5 ] [ 0.376387 0.839142 0.5 ] [ 0.088642 0.178787 0 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Li" "Li" "Li" "C" "C" "C" "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" 8.39745288972 "source-unit" "angstrom" } "c" { "source-value" 3.33979502 "source-unit" "angstrom" } }