{ "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" [ [ 0.647005 0.219653 0.861758 ] [ 0.146043 0.751229 0.387861 ] [ 0.352995 0.780347 0.138242 ] [ 0.352995 0.719653 0.638242 ] [ 0.853957 0.251229 0.112139 ] [ 0.146043 0.748771 0.887861 ] [ 0.647005 0.280347 0.361758 ] [ 0.853957 0.248771 0.612139 ] [ 0.319193 0.248556 0.994006 ] [ 0.179491 0.243657 0.243862 ] [ 0.319193 0.251444 0.494006 ] [ 0.179491 0.256343 0.743862 ] [ 0.820509 0.743657 0.256138 ] [ 0.05624 0.748924 0.079738 ] [ 0.94376 0.248924 0.420262 ] [ 0.557391 0.24023 0.670989 ] [ 0.442609 0.75977 0.329011 ] [ 0.05624 0.751076 0.579738 ] [ 0.557391 0.25977 0.170989 ] [ 0.94376 0.251076 0.920262 ] [ 0.680807 0.748556 0.505994 ] [ 0.680807 0.751444 0.005994 ] [ 0.820509 0.756343 0.756138 ] [ 0.442609 0.74023 0.829011 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.6774671028 "source-unit" "angstrom" } "b" { "source-value" 4.27271077 "source-unit" "angstrom" } "c" { "source-value" 15.470722179 "source-unit" "angstrom" } "beta" { "source-value" 90.150066269 "source-unit" "degree" } }