{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.114046 0 0.923353 ] [ 0.202277 0.5 0.306931 ] [ 0.797723 0.5 0.693069 ] [ 0.885954 0 0.076647 ] [ 0 0 0.5 ] [ 0.614046 0.5 0.923353 ] [ 0.702277 0 0.306931 ] [ 0.297723 0 0.693069 ] [ 0.385954 0.5 0.076647 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.155282 0.5 0.551894 ] [ 0.238538 0.5 0.852093 ] [ 0.761462 0.5 0.147907 ] [ 0.844718 0.5 0.448106 ] [ 0.5 0 0 ] [ 0.655282 0 0.551894 ] [ 0.738538 0 0.852093 ] [ 0.261462 0 0.147907 ] [ 0.344718 0 0.448106 ] [ 0.044991 0 0.287117 ] [ 0.955009 0 0.712883 ] [ 0.544991 0.5 0.287117 ] [ 0.455009 0.5 0.712883 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 10.41914177 "source-unit" "angstrom" } "b" { "source-value" 3.06747922 "source-unit" "angstrom" } "c" { "source-value" 9.11705571 "source-unit" "angstrom" } "beta" { "source-value" 105.47154437 "source-unit" "degree" } }