{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.829727 0.384456 0.60103 ] [ 0.170273 0.384456 0.89897 ] [ 0.829727 0.615544 0.10103 ] [ 0.066854 0.854219 0.668916 ] [ 0.933146 0.854219 0.831084 ] [ 0.933146 0.145781 0.331084 ] [ 0.066854 0.145781 0.168916 ] [ 0.170273 0.615544 0.39897 ] [ 0.329727 0.884456 0.60103 ] [ 0.670273 0.884456 0.89897 ] [ 0.329727 0.115544 0.10103 ] [ 0.566854 0.354219 0.668916 ] [ 0.433146 0.354219 0.831084 ] [ 0.433146 0.645781 0.331084 ] [ 0.566854 0.645781 0.168916 ] [ 0.670273 0.115544 0.39897 ] [ 0 0.645551 0.25 ] [ 0 0.354449 0.75 ] [ 0.171759 0.119698 0.558033 ] [ 0.828241 0.119698 0.941967 ] [ 0.828241 0.880302 0.441967 ] [ 0.171759 0.880302 0.058033 ] [ 0.5 0.145551 0.25 ] [ 0.5 0.854449 0.75 ] [ 0.671759 0.619698 0.558033 ] [ 0.328241 0.619698 0.941967 ] [ 0.328241 0.380302 0.441967 ] [ 0.671759 0.380302 0.058033 ] [ 0.937639 0.365516 0.982629 ] [ 0.937639 0.634484 0.482629 ] [ 0.062361 0.634484 0.017371 ] [ 0.221323 0.850237 0.814088 ] [ 0.778677 0.850237 0.685912 ] [ 0.062361 0.365516 0.517371 ] [ 0.778677 0.149763 0.185912 ] [ 0.221323 0.149763 0.314088 ] [ 0.437639 0.865516 0.982629 ] [ 0.437639 0.134484 0.482629 ] [ 0.562361 0.134484 0.017371 ] [ 0.721323 0.350237 0.814088 ] [ 0.278677 0.350237 0.685912 ] [ 0.562361 0.865516 0.517371 ] [ 0.278677 0.649763 0.185912 ] [ 0.721323 0.649763 0.314088 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 21.3042538626 "source-unit" "angstrom" } "b" { "source-value" 5.71414605664 "source-unit" "angstrom" } "c" { "source-value" 8.04343469877 "source-unit" "angstrom" } "beta" { "source-value" 109.703874941 "source-unit" "degree" } }