{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.780801 0.526353 0.181331 ] [ 0.780801 0.973647 0.181331 ] [ 0.219199 0.473647 0.818669 ] [ 0.219199 0.026353 0.818669 ] [ 0.233504 0.25 0.373789 ] [ 0.766496 0.75 0.626211 ] [ 0.232155 0.25 0.085976 ] [ 0.767845 0.75 0.914024 ] [ 0.231775 0.75 0.363423 ] [ 0.768225 0.25 0.636577 ] [ 0.773898 0.75 0.047297 ] [ 0.013527 0.25 0.160447 ] [ 0.451944 0.25 0.158232 ] [ 0.085118 0.925524 0.309938 ] [ 0.085118 0.574476 0.309938 ] [ 0.77296 0.25 0.47937 ] [ 0.502844 0.75 0.312099 ] [ 0.497156 0.25 0.687901 ] [ 0.22704 0.75 0.52063 ] [ 0.914882 0.425524 0.690062 ] [ 0.914882 0.074476 0.690062 ] [ 0.548056 0.75 0.841768 ] [ 0.986473 0.75 0.839553 ] [ 0.226102 0.25 0.952703 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Sn" "Sn" "C" "C" "S" "S" "O" "O" "O" "O" "O" "O" "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" 5.1097921 "source-unit" "angstrom" } "b" { "source-value" 6.82844782 "source-unit" "angstrom" } "c" { "source-value" 9.52698183 "source-unit" "angstrom" } "beta" { "source-value" 90.23426446 "source-unit" "degree" } }