{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.238919 0.75 0.084397 ] [ 0.747745 0.996181 0.260981 ] [ 0.747745 0.503819 0.260981 ] [ 0.252255 0.496181 0.739019 ] [ 0.252255 0.003819 0.739019 ] [ 0.761081 0.25 0.915603 ] [ 0.205064 0.25 0.357268 ] [ 0.794936 0.75 0.642732 ] [ 0.299905 0.75 0.421195 ] [ 0.700095 0.25 0.578805 ] [ 0.26979 0.25 0.061265 ] [ 0.73021 0.75 0.938735 ] [ 0.71807 0.75 0.080669 ] [ 0.046352 0.25 0.123159 ] [ 0.477853 0.25 0.141536 ] [ 0.226213 0.954102 0.317275 ] [ 0.226213 0.545898 0.317275 ] [ 0.614864 0.75 0.451054 ] [ 0.85049 0.25 0.424323 ] [ 0.14951 0.75 0.575677 ] [ 0.385136 0.25 0.548946 ] [ 0.773787 0.454102 0.682725 ] [ 0.773787 0.045898 0.682725 ] [ 0.522147 0.75 0.858464 ] [ 0.953648 0.75 0.876841 ] [ 0.28193 0.25 0.919331 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "Si" "Si" "C" "C" "O" "O" "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" 5.19482281 "source-unit" "angstrom" } "b" { "source-value" 6.42675438 "source-unit" "angstrom" } "c" { "source-value" 9.12812382 "source-unit" "angstrom" } "beta" { "source-value" 91.25997879 "source-unit" "degree" } }