{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.101362 0.5 0.016659 ] [ 0.898638 0.5 0.983341 ] [ 0.601362 0 0.016659 ] [ 0.398638 0 0.983341 ] [ 0.792575 0.5 0.593511 ] [ 0.235807 0.5 0.905611 ] [ 0.922516 0.5 0.384392 ] [ 0.207425 0.5 0.406489 ] [ 0.077484 0.5 0.615608 ] [ 0.764193 0.5 0.094389 ] [ 0.292575 0 0.593511 ] [ 0.735807 0 0.905611 ] [ 0.422516 0 0.384392 ] [ 0.707425 0 0.406489 ] [ 0.577484 0 0.615608 ] [ 0.264193 0 0.094389 ] [ 0.946869 0.5 0.690332 ] [ 0.189819 0 0.729512 ] [ 0.053131 0.5 0.309668 ] [ 0.810181 0 0.270488 ] [ 0.446869 0 0.690332 ] [ 0.689819 0.5 0.729512 ] [ 0.553131 0 0.309668 ] [ 0.310181 0.5 0.270488 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 19.2531908706 "source-unit" "angstrom" } "b" { "source-value" 4.72121936 "source-unit" "angstrom" } "c" { "source-value" 9.62953243907 "source-unit" "angstrom" } "beta" { "source-value" 115.165992698 "source-unit" "degree" } }