{ "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" [ [ 0.909889 0.795078 0.231593 ] [ 0.090111 0.204922 0.768407 ] [ 0.792447 0.204676 0.064046 ] [ 0.222208 0.806856 0.363629 ] [ 0.207553 0.795325 0.935954 ] [ 0.777792 0.193144 0.636371 ] [ 0.543692 0.265455 0.089045 ] [ 0.788016 0.207228 0.450794 ] [ 0.041101 0.506156 0.292805 ] [ 0.456308 0.734545 0.910955 ] [ 0.240001 0.187176 0.919611 ] [ 0.28551 0.001402 0.256877 ] [ 0.313834 0.168842 0.582921 ] [ 0.813701 0.39637 0.094917 ] [ 0.413036 0.612668 0.317095 ] [ 0.186299 0.60363 0.905083 ] [ 0.71449 0.998598 0.743123 ] [ 0.586964 0.387332 0.682905 ] [ 0.686166 0.831158 0.417079 ] [ 0.759999 0.812824 0.080389 ] [ 0.211984 0.792772 0.549206 ] [ 0.958899 0.493844 0.707195 ] [ 0.940992 0.182348 0.65234 ] [ 0.856689 0.058105 0.173179 ] [ 0.143311 0.941895 0.826821 ] [ 0.059008 0.817652 0.34766 ] [ 0.132368 0.806215 0.077746 ] [ 0.867632 0.193785 0.922254 ] ] } "species" { "source-value" [ "Sn" "Sn" "P" "P" "P" "P" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 8.98035520587 "source-unit" "angstrom" } "b" { "source-value" 9.24278057261 "source-unit" "angstrom" } "c" { "source-value" 11.0415133158 "source-unit" "angstrom" } "alpha" { "source-value" 69.9064689245 "source-unit" "degree" } "beta" { "source-value" 71.264029297 "source-unit" "degree" } "gamma" { "source-value" 65.3870894948 "source-unit" "degree" } }