{ "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" [ [ 0.21939 0.400672 0.746046 ] [ 0.78061 0.900672 0.253954 ] [ 0.733477 0.500878 0.934463 ] [ 0.266523 0.000878 0.065537 ] [ 0.741555 0.991892 0.597807 ] [ 0.258445 0.491892 0.402193 ] [ 0.544181 0.657787 0.417923 ] [ 0.455819 0.157787 0.582077 ] [ 0.134204 0.597688 0.567033 ] [ 0.865796 0.097688 0.432967 ] [ 0.08868 0.71874 0.27234 ] [ 0.91132 0.21874 0.72766 ] [ 0.358144 0.206811 0.918438 ] [ 0.641856 0.706811 0.081562 ] [ 0.498272 0.124203 0.208339 ] [ 0.501728 0.624203 0.791661 ] [ 0.020192 0.19191 0.115894 ] [ 0.979808 0.69191 0.884106 ] ] } "species" { "source-value" [ "Cu" "Cu" "I" "I" "I" "I" "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" 5.64894602951 "source-unit" "angstrom" } "b" { "source-value" 5.27456356 "source-unit" "angstrom" } "c" { "source-value" 9.32840734554 "source-unit" "angstrom" } "beta" { "source-value" 97.2988414032 "source-unit" "degree" } }