{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.474878 0.247189 0.996949 ] [ 0.474878 0.752811 0.496949 ] [ 0.574482 0.144945 0.674721 ] [ 0.574482 0.855055 0.174721 ] [ 0.457258 0.382994 0.383621 ] [ 0.457258 0.617006 0.883621 ] [ 0.974589 0.230265 0.447513 ] [ 0.974589 0.769735 0.947513 ] [ 0.854511 0.393091 0.766057 ] [ 0.854511 0.606909 0.266057 ] [ 0.147018 0.103307 0.233033 ] [ 0.147018 0.896693 0.733033 ] [ 0.673336 0.225343 0.80856 ] [ 0.673336 0.774657 0.30856 ] [ 0.303879 0.277006 0.201347 ] [ 0.303879 0.722994 0.701347 ] [ 0.061139 0.29134 0.698052 ] [ 0.061139 0.70866 0.198052 ] [ 0.895799 0.203764 0.287757 ] [ 0.895799 0.796236 0.787757 ] [ 0.569226 0.474495 0.513499 ] [ 0.569226 0.525505 0.013499 ] [ 0.399645 0.023995 0.48308 ] [ 0.399645 0.976005 0.98308 ] ] } "species" { "source-value" [ "Li" "Li" "H" "H" "H" "H" "H" "H" "Se" "Se" "Se" "Se" "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" 5.56004831 "source-unit" "angstrom" } "b" { "source-value" 8.01307628 "source-unit" "angstrom" } "c" { "source-value" 7.20538189 "source-unit" "angstrom" } "beta" { "source-value" 122.46335603 "source-unit" "degree" } }