{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.820757 0.5 0.993396 ] [ 0.45593 0.5 0.881366 ] [ 0.818919 0 0.778173 ] [ 0.18083 0 0.716141 ] [ 0.508677 0.5 0.612025 ] [ 0.866913 0.5 0.566018 ] [ 0.115035 0 0.424953 ] [ 0.483048 0 0.383907 ] [ 0.815386 0.5 0.280115 ] [ 0.177549 0.5 0.218403 ] [ 0.547103 0 0.119808 ] [ 0.190679 0 0.017748 ] [ 0.682189 0.5 0.81944 ] [ 0.3488 0.5 0.717165 ] [ 0.99292 0.5 0.732781 ] [ 0.708692 0 0.626785 ] [ 0.300829 0.5 0.372374 ] [ 0.955352 0.5 0.430701 ] [ 0.010577 0 0.271097 ] [ 0.648244 0 0.285053 ] [ 0.319196 0 0.181812 ] [ 0.058374 0.5 0.070634 ] [ 0.722065 0.5 0.126761 ] [ 0.383956 0.5 0.024384 ] [ 0.622973 0 0.967161 ] [ 0.28418 0 0.868706 ] [ 0.940033 0 0.928352 ] [ 0.043118 0 0.575975 ] [ 0.377882 0 0.539749 ] [ 0.619792 0.5 0.469016 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 8.10978533 "source-unit" "angstrom" } "b" { "source-value" 3.26584427 "source-unit" "angstrom" } "c" { "source-value" 13.78789619 "source-unit" "angstrom" } "beta" { "source-value" 98.60845135 "source-unit" "degree" } }