{ "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" [ [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0.293343 0 0.571626 ] [ 0.706657 0 0.428374 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.793343 0.5 0.571626 ] [ 0.206657 0.5 0.428374 ] [ 0.361859 0 0.915745 ] [ 0.638141 0 0.084255 ] [ 0.861859 0.5 0.915745 ] [ 0.138141 0.5 0.084255 ] [ 0 0.722616 0.5 ] [ 0 0.277384 0.5 ] [ 0.89245 0 0.778831 ] [ 0.10755 0 0.221169 ] [ 0.5 0.222616 0.5 ] [ 0.5 0.777384 0.5 ] [ 0.39245 0.5 0.778831 ] [ 0.60755 0.5 0.221169 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "P" "P" "P" "P" "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" 8.88849500811 "source-unit" "angstrom" } "b" { "source-value" 8.16637026871 "source-unit" "angstrom" } "c" { "source-value" 7.74659263234 "source-unit" "angstrom" } "beta" { "source-value" 116.57731591 "source-unit" "degree" } }