{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.550642 0.123474 0.268868 ] [ 0.449358 0.876526 0.731132 ] [ 0.52338 0.633339 0.757515 ] [ 0.320024 0.038145 0.857781 ] [ 0.679976 0.961855 0.142219 ] [ 0.220959 0.765124 0.589213 ] [ 0.779041 0.234876 0.410787 ] [ 0.251844 0.911262 0.310273 ] [ 0.748156 0.088738 0.689727 ] [ 0.47662 0.366661 0.242485 ] ] } "species" { "source-value" [ "Rb" "Au" "S" "S" "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" 4.35617074919 "source-unit" "angstrom" } "b" { "source-value" 5.16817726093 "source-unit" "angstrom" } "c" { "source-value" 9.03767070117 "source-unit" "angstrom" } "alpha" { "source-value" 103.043771743 "source-unit" "degree" } "beta" { "source-value" 88.3090870711 "source-unit" "degree" } "gamma" { "source-value" 105.688409576 "source-unit" "degree" } }