{ "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" [ [ 0.015491 0.5 0.401575 ] [ 0.984509 0.5 0.598425 ] [ 0.515491 0 0.401575 ] [ 0.484509 0 0.598425 ] [ 0.933805 0 0.758887 ] [ 0.066195 0 0.241113 ] [ 0.433805 0.5 0.758887 ] [ 0.566195 0.5 0.241113 ] [ 0.745514 0.5 0.811794 ] [ 0.254486 0.5 0.188206 ] [ 0.245514 0 0.811794 ] [ 0.754486 0 0.188206 ] [ 0.113766 0.5 0.415375 ] [ 0.886234 0.5 0.584625 ] [ 0.613766 0 0.415375 ] [ 0.386234 0 0.584625 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "Pb" "Pb" "Pb" "Pb" "Cl" "Cl" "Cl" "Cl" "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" 10.9650006715 "source-unit" "angstrom" } "b" { "source-value" 4.05675672 "source-unit" "angstrom" } "c" { "source-value" 10.0476723924 "source-unit" "angstrom" } "beta" { "source-value" 139.083139307 "source-unit" "degree" } }