{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.366866 0.02993 0.25 ] [ 0.02993 0.663064 0.75 ] [ 0.633134 0.97007 0.75 ] [ 0.663064 0.633134 0.25 ] [ 0.97007 0.336936 0.25 ] [ 0.336936 0.366866 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.449171 0.845196 0.25 ] [ 0.845196 0.396025 0.75 ] [ 0.396025 0.550829 0.25 ] [ 0.603975 0.449171 0.75 ] [ 0.550829 0.154804 0.75 ] [ 0.154804 0.603975 0.25 ] [ 0.700694 0.789881 0.75 ] [ 0.210119 0.910813 0.75 ] [ 0.299306 0.210119 0.25 ] [ 0.910813 0.700694 0.25 ] [ 0.789881 0.089187 0.25 ] [ 0.089187 0.299306 0.75 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "B" "B" "O" "O" "O" "O" "O" "O" "F" "F" "F" "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" 8.89948268193 "source-unit" "angstrom" } "c" { "source-value" 3.14100404 "source-unit" "angstrom" } }