{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.227883 0.730651 0.827595 ] [ 0.772117 0.269349 0.327595 ] [ 0.272117 0.230651 0.827595 ] [ 0.727883 0.769349 0.327595 ] [ 0.225156 0.524592 0.164588 ] [ 0.774844 0.475408 0.664588 ] [ 0.274844 0.024592 0.164588 ] [ 0.725156 0.975408 0.664588 ] [ 0.241078 0.866287 0.497544 ] [ 0.758922 0.133713 0.997544 ] [ 0.258922 0.366287 0.497544 ] [ 0.741078 0.633713 0.997544 ] [ 0.154275 0.838148 0.313896 ] [ 0.845725 0.161852 0.813896 ] [ 0.345725 0.338148 0.313896 ] [ 0.654275 0.661852 0.813896 ] [ 0.455446 0.711171 0.056414 ] [ 0.544554 0.288829 0.556414 ] [ 0.044554 0.211171 0.056414 ] [ 0.955446 0.788829 0.556414 ] [ 0.367787 0.618535 0.497715 ] [ 0.632213 0.381465 0.997715 ] [ 0.132213 0.118535 0.497715 ] [ 0.867787 0.881465 0.997715 ] [ 0.542492 0.941979 0.448931 ] [ 0.457508 0.058021 0.948931 ] [ 0.957508 0.441979 0.448931 ] [ 0.042492 0.558021 0.948931 ] [ 0.339274 0.908818 0.682167 ] [ 0.660726 0.091182 0.182167 ] [ 0.160726 0.408818 0.682167 ] [ 0.839274 0.591182 0.182167 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Te" "Te" "Te" "Te" "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" 6.05981326 "source-unit" "angstrom" } "b" { "source-value" 7.51811499 "source-unit" "angstrom" } "c" { "source-value" 10.13288997 "source-unit" "angstrom" } }