{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.572633 0.905416 0.206244 ] [ 0.072633 0.094584 0.706244 ] [ 0.698464 0.778963 0.596931 ] [ 0.827262 0.408663 0.574624 ] [ 0.327262 0.591337 0.074624 ] [ 0.823151 0.542638 0.921376 ] [ 0.323151 0.457362 0.421376 ] [ 0.198464 0.221037 0.096931 ] [ 0.701926 0.274832 0.187074 ] [ 0.078799 0.954326 0.362044 ] [ 0.578799 0.045674 0.862044 ] [ 0.201926 0.725168 0.687074 ] [ 0.008988 0.892788 0.007355 ] [ 0.393568 0.394537 0.774104 ] [ 0.508988 0.107212 0.507355 ] [ 0.893568 0.605463 0.274104 ] [ 0.779391 0.075878 0.505014 ] [ 0.023236 0.446158 0.218552 ] [ 0.993042 0.657018 0.445972 ] [ 0.279391 0.924122 0.005014 ] [ 0.90727 0.848793 0.834212 ] [ 0.523236 0.553842 0.718552 ] [ 0.876848 0.047289 0.072075 ] [ 0.956203 0.744302 0.136963 ] [ 0.456203 0.255698 0.636963 ] [ 0.621819 0.578237 0.274659 ] [ 0.121819 0.421763 0.774659 ] [ 0.493042 0.342982 0.945972 ] [ 0.40727 0.151207 0.334212 ] [ 0.376848 0.952711 0.572075 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Ti" "Ti" "Ti" "Ti" "O" "O" "O" "O" "O" "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" 6.64296785803 "source-unit" "angstrom" } "b" { "source-value" 9.38967635 "source-unit" "angstrom" } "c" { "source-value" 9.57368967364 "source-unit" "angstrom" } "beta" { "source-value" 92.0471382946 "source-unit" "degree" } }