{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.149073 0.865029 0.878839 ] [ 0.850927 0.365029 0.621161 ] [ 0.850927 0.134971 0.121161 ] [ 0.149073 0.634971 0.378839 ] [ 0.344606 0.362554 0.178702 ] [ 0.655394 0.862554 0.321298 ] [ 0.655394 0.637446 0.821298 ] [ 0.344606 0.137446 0.678702 ] [ 0.271693 0.500982 0.79107 ] [ 0.728307 0.000982 0.70893 ] [ 0.728307 0.499018 0.20893 ] [ 0.271693 0.999018 0.29107 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.69358831298 "source-unit" "angstrom" } "b" { "source-value" 6.63961317 "source-unit" "angstrom" } "c" { "source-value" 6.79475242493 "source-unit" "angstrom" } "beta" { "source-value" 114.927750538 "source-unit" "degree" } }