{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.791934 0.25 ] [ 0.5 0.208066 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.203092 0.25 ] [ 0 0.796908 0.75 ] [ 0.360277 0.641844 0.445931 ] [ 0.639723 0.641844 0.054069 ] [ 0.639723 0.358156 0.554069 ] [ 0.360277 0.358156 0.945931 ] [ 0.248179 0.929716 0.109582 ] [ 0.751821 0.929716 0.390418 ] [ 0.751821 0.070284 0.890418 ] [ 0.248179 0.070284 0.609582 ] ] } "species" { "source-value" [ "As" "As" "H" "H" "Pb" "Pb" "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" 4.97294533653 "source-unit" "angstrom" } "b" { "source-value" 6.79012239 "source-unit" "angstrom" } "c" { "source-value" 5.93595324202 "source-unit" "angstrom" } "beta" { "source-value" 95.1018332701 "source-unit" "degree" } }