{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.828044 0.153963 0.374248 ] [ 0.685644 0.363922 0.956271 ] [ 0.185644 0.136078 0.456271 ] [ 0.314356 0.636078 0.043729 ] [ 0.814356 0.863922 0.543729 ] [ 0.671956 0.653963 0.125752 ] [ 0.171956 0.846037 0.625752 ] [ 0.328044 0.346037 0.874248 ] [ 0.547924 0.367149 0.584973 ] [ 0.952076 0.867149 0.915027 ] [ 0.452076 0.632851 0.415027 ] [ 0.047924 0.132851 0.084973 ] [ 0.456035 0.11481 0.227178 ] [ 0.543965 0.88519 0.772822 ] [ 0.043965 0.61481 0.272822 ] [ 0.956035 0.38519 0.727178 ] [ 0.534541 0.559979 0.771116 ] [ 0.965459 0.059979 0.728884 ] [ 0.465459 0.440021 0.228884 ] [ 0.034541 0.940021 0.271116 ] [ 0.660353 0.978063 0.88383 ] [ 0.839647 0.478063 0.61617 ] [ 0.339647 0.021937 0.11617 ] [ 0.160353 0.521937 0.38383 ] [ 0.606187 0.986677 0.652969 ] [ 0.870316 0.494505 0.277332 ] [ 0.393813 0.013323 0.347031 ] [ 0.106187 0.513323 0.152969 ] [ 0.370316 0.005495 0.777332 ] [ 0.129684 0.505495 0.722668 ] [ 0.629684 0.994505 0.222668 ] [ 0.893813 0.486677 0.847031 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "As" "As" "As" "As" "O" "O" "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" 9.33114172894 "source-unit" "angstrom" } "b" { "source-value" 5.29483786 "source-unit" "angstrom" } "c" { "source-value" 12.3857334847 "source-unit" "angstrom" } "beta" { "source-value" 96.0403526403 "source-unit" "degree" } }