{ "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" [ [ 0.745504 0.999714 0.256833 ] [ 0.254496 0.499714 0.743167 ] [ 0.249878 0.745625 0.088035 ] [ 0.758034 0.520871 0.27426 ] [ 0.241966 0.020871 0.72574 ] [ 0.750122 0.245625 0.911965 ] [ 0.215493 0.255327 0.344101 ] [ 0.784507 0.755327 0.655899 ] [ 0.290815 0.751608 0.408192 ] [ 0.709185 0.251608 0.591808 ] [ 0.281837 0.242485 0.041885 ] [ 0.718163 0.742485 0.958115 ] [ 0.657985 0.720512 0.101288 ] [ 0.037985 0.24398 0.081784 ] [ 0.473075 0.264603 0.149265 ] [ 0.224936 0.939165 0.302309 ] [ 0.174185 0.569189 0.311153 ] [ 0.597751 0.728271 0.431308 ] [ 0.826849 0.268649 0.430668 ] [ 0.173151 0.768649 0.569332 ] [ 0.402249 0.228271 0.568692 ] [ 0.775064 0.439165 0.697691 ] [ 0.825815 0.069189 0.688847 ] [ 0.526925 0.764603 0.850735 ] [ 0.962015 0.74398 0.918216 ] [ 0.342015 0.220512 0.898712 ] ] } "species" { "source-value" [ "Na" "Na" "Li" "Li" "Li" "Li" "Fe" "Fe" "P" "P" "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" 5.05702104 "source-unit" "angstrom" } "b" { "source-value" 6.61261158 "source-unit" "angstrom" } "c" { "source-value" 8.59884525 "source-unit" "angstrom" } "beta" { "source-value" 93.27837185 "source-unit" "degree" } }