{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.225472 0.381467 0.908931 ] [ 0.774528 0.618533 0.091069 ] [ 0.480011 0.423025 0.76382 ] [ 0.519989 0.576975 0.23618 ] [ 0.287309 0.170765 0.914401 ] [ 0.712691 0.829235 0.085599 ] [ 0.568918 0.91267 0.728768 ] [ 0.431082 0.08733 0.271232 ] [ 0.785825 0.436863 0.617683 ] [ 0.214175 0.563137 0.382317 ] [ 0.580932 0.168854 0.742422 ] [ 0.419068 0.831146 0.257578 ] [ 0.752133 0.179909 0.615503 ] [ 0.247867 0.820091 0.384497 ] [ 0.469158 0.301701 0.797784 ] [ 0.530842 0.698299 0.202216 ] [ 0.364493 0.299426 0.921805 ] [ 0.635507 0.700574 0.078195 ] [ 0.02646 0.696127 0.753698 ] [ 0.97354 0.303873 0.246302 ] [ 0.013108 0.643408 0.900078 ] [ 0.986892 0.356592 0.099922 ] [ 0.546177 0.01772 0.800434 ] [ 0.453823 0.98228 0.199566 ] [ 0.782825 0.578811 0.61892 ] [ 0.217175 0.421189 0.38108 ] [ 0.247756 0.640562 0.711215 ] [ 0.752244 0.359438 0.288785 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "S" "S" "N" "N" "N" "N" "Cl" "Cl" "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" 5.61965766 "source-unit" "angstrom" } "b" { "source-value" 7.55627234 "source-unit" "angstrom" } "c" { "source-value" 9.11767773 "source-unit" "angstrom" } "alpha" { "source-value" 99.53685596 "source-unit" "degree" } "beta" { "source-value" 104.9571988 "source-unit" "degree" } "gamma" { "source-value" 94.11509457 "source-unit" "degree" } }