{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.994938 0 0.995291 ] [ 0.000493 0 0.499662 ] [ 0.336831 0 0.846668 ] [ 0.665754 0 0.153387 ] [ 0.494938 0.5 0.995291 ] [ 0.500493 0.5 0.499662 ] [ 0.836831 0.5 0.846668 ] [ 0.165754 0.5 0.153387 ] [ 0.353222 0 0.328207 ] [ 0.648088 0 0.670044 ] [ 0.853222 0.5 0.328207 ] [ 0.148088 0.5 0.670044 ] [ 0.911349 0.714286 0.212858 ] [ 0.122075 0.286567 0.808762 ] [ 0.122075 0.713433 0.808762 ] [ 0.911349 0.285714 0.212858 ] [ 0.476907 0 0.534781 ] [ 0.411349 0.214286 0.212858 ] [ 0.622075 0.786567 0.808762 ] [ 0.622075 0.213433 0.808762 ] [ 0.411349 0.785714 0.212858 ] [ 0.976907 0.5 0.534781 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Sb" "Sb" "Sb" "Sb" "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" 10.8737624369 "source-unit" "angstrom" } "b" { "source-value" 7.05892016877 "source-unit" "angstrom" } "c" { "source-value" 8.30319535273 "source-unit" "angstrom" } "beta" { "source-value" 97.7319678138 "source-unit" "degree" } }