{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.764008 0.25 ] [ 0 0.235992 0.75 ] [ 0.5 0.264008 0.25 ] [ 0.5 0.735992 0.75 ] [ 0 0.878623 0.25 ] [ 0 0.121377 0.75 ] [ 0.5 0.378623 0.25 ] [ 0.5 0.621377 0.75 ] [ 0.5 0.871918 0.75 ] [ 0.5 0.128082 0.25 ] [ 0 0.371918 0.75 ] [ 0 0.628082 0.25 ] [ 0 0.94722 0.25 ] [ 0 0.05278 0.75 ] [ 0.5 0.44722 0.25 ] [ 0.5 0.55278 0.75 ] ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "C" "C" "C" "C" "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" 4.47293778254 "source-unit" "angstrom" } "b" { "source-value" 16.6933963315 "source-unit" "angstrom" } "c" { "source-value" 5.58089587 "source-unit" "angstrom" } }