{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.189349 0.494211 0.43177 ] [ 0.810651 0.994211 0.56823 ] [ 0.652098 0.504045 0.146086 ] [ 0.347902 0.004045 0.853914 ] [ 0.088124 0.503446 0.888702 ] [ 0.911876 0.003446 0.111298 ] [ 0.63265 0.505972 0.479827 ] [ 0.36735 0.005972 0.520173 ] [ 0.709103 0.502198 0.787126 ] [ 0.290897 0.002198 0.212874 ] [ 0.140826 0.250077 0.722826 ] [ 0.859174 0.750077 0.277174 ] [ 0.850298 0.25103 0.278727 ] [ 0.149702 0.75103 0.721273 ] [ 0.529761 0.520006 0.35989 ] [ 0.470239 0.020006 0.64011 ] [ 0.793183 0.509015 0.709107 ] [ 0.206817 0.009015 0.290893 ] ] } "species" { "source-value" [ "Ba" "Ba" "Sn" "Sn" "Sn" "Sn" "H" "H" "H" "H" "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" 7.30907675 "source-unit" "angstrom" } "b" { "source-value" 5.89411722 "source-unit" "angstrom" } "c" { "source-value" 7.66501772 "source-unit" "angstrom" } "beta" { "source-value" 108.12881137 "source-unit" "degree" } }