{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nb" } "basis-atom-coordinates" { "source-value" [ [ 0.210186 0.498968 0.250585 ] [ 0.710186 0.501032 0.749415 ] [ 0.710186 0.001032 0.750585 ] [ 0.210186 0.998968 0.249415 ] [ 0.232486 0.249497 0.088601 ] [ 0.732486 0.750503 0.911399 ] [ 0.732486 0.250503 0.588601 ] [ 0.232486 0.749497 0.411399 ] [ 0.492182 0.249553 0.340828 ] [ 0.992182 0.750447 0.659172 ] [ 0.992182 0.250447 0.840828 ] [ 0.492182 0.749553 0.159172 ] [ 0.922831 0.244313 0.330729 ] [ 0.422831 0.755687 0.669271 ] [ 0.422831 0.255687 0.830729 ] [ 0.922831 0.744313 0.169271 ] [ 0.266851 0.456594 0.565173 ] [ 0.766851 0.543406 0.434827 ] [ 0.766851 0.043406 0.065173 ] [ 0.266851 0.956594 0.934827 ] [ 0.253763 0.058097 0.544941 ] [ 0.753763 0.941903 0.455059 ] [ 0.753763 0.441903 0.044941 ] [ 0.253763 0.558097 0.955059 ] [ 0.339286 0.066417 0.096789 ] [ 0.839286 0.933583 0.903211 ] [ 0.839286 0.433583 0.596789 ] [ 0.339286 0.566417 0.403211 ] [ 0.38129 0.329811 0.241933 ] [ 0.88129 0.670189 0.758067 ] [ 0.88129 0.170189 0.741933 ] [ 0.38129 0.829811 0.258067 ] [ 0.110249 0.429883 0.088382 ] [ 0.610249 0.570117 0.911618 ] [ 0.610249 0.070117 0.588382 ] [ 0.110249 0.929883 0.411618 ] [ 0.518905 0.326439 0.462956 ] [ 0.018905 0.673561 0.537044 ] [ 0.018905 0.173561 0.962956 ] [ 0.518905 0.826439 0.037044 ] [ 0.041693 0.171098 0.23004 ] [ 0.541693 0.828902 0.76996 ] [ 0.541693 0.328902 0.73004 ] [ 0.041693 0.671098 0.26996 ] [ 0.703105 0.224775 0.285947 ] [ 0.203105 0.775225 0.714053 ] [ 0.203105 0.275225 0.785947 ] [ 0.703105 0.724775 0.214053 ] [ 0.390797 0.114225 0.366928 ] [ 0.890797 0.885775 0.633072 ] [ 0.890797 0.385775 0.866928 ] [ 0.390797 0.614225 0.133072 ] [ 0.974196 0.39468 0.339183 ] [ 0.474196 0.60532 0.660817 ] [ 0.474196 0.10532 0.839183 ] [ 0.974196 0.89468 0.160817 ] [ 0.937718 0.17871 0.459071 ] [ 0.437718 0.82129 0.540929 ] [ 0.437718 0.32129 0.959071 ] [ 0.937718 0.67871 0.040929 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "In" "In" "In" "In" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.12648254 "source-unit" "angstrom" } "b" { "source-value" 10.7224442 "source-unit" "angstrom" } "c" { "source-value" 11.61452614 "source-unit" "angstrom" } }