{ "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" [ [ 0.682338 0.54866 0.159069 ] [ 0.999862 0.810766 0.001618 ] [ 0.499862 0.689234 0.501618 ] [ 0.817662 0.04866 0.340931 ] [ 0.000138 0.189234 0.998382 ] [ 0.500138 0.310766 0.498382 ] [ 0.317662 0.45134 0.840931 ] [ 0.182338 0.95134 0.659069 ] [ 0.522722 0.929737 0.619059 ] [ 0.022722 0.570263 0.119059 ] [ 0.477278 0.070263 0.380941 ] [ 0.977278 0.429737 0.880941 ] [ 0.255178 0.501333 0.512102 ] [ 0.022988 0.845551 0.363643 ] [ 0.975495 0.761401 0.731434 ] [ 0.755178 0.998667 0.012102 ] [ 0.477012 0.345551 0.136357 ] [ 0.475495 0.738599 0.231434 ] [ 0.522988 0.654449 0.863643 ] [ 0.977012 0.154449 0.636357 ] [ 0.024505 0.238599 0.268566 ] [ 0.244822 0.001333 0.987898 ] [ 0.744822 0.498667 0.487898 ] [ 0.524505 0.261401 0.768566 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Te" "Te" "Te" "Te" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.85781669331 "source-unit" "angstrom" } "b" { "source-value" 10.28220435 "source-unit" "angstrom" } "c" { "source-value" 10.3288470855 "source-unit" "angstrom" } "beta" { "source-value" 95.8810207218 "source-unit" "degree" } }