{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.257279 0.75 ] [ 0 0.742721 0.25 ] [ 0 0.757086 0.75 ] [ 0 0.242914 0.25 ] [ 0.294231 0.477251 0.00063 ] [ 0.705355 0.020688 0.851929 ] [ 0.294645 0.020688 0.648071 ] [ 0.705769 0.477251 0.49937 ] [ 0.294231 0.522749 0.50063 ] [ 0.705355 0.979312 0.351929 ] [ 0.294645 0.979312 0.148071 ] [ 0.705769 0.522749 0.99937 ] [ 0.5 0.5 0 ] [ 0.13863 0.518454 0.865694 ] [ 0.858963 0.996203 0.792764 ] [ 0.741494 0.809163 0.958612 ] [ 0.724537 0.309986 0.905706 ] [ 0.141037 0.996203 0.707236 ] [ 0.86137 0.518454 0.634306 ] [ 0.5 0.970781 0.75 ] [ 0.275463 0.309986 0.594294 ] [ 0.741494 0.190837 0.458612 ] [ 0.258506 0.809163 0.541388 ] [ 0.724537 0.690014 0.405706 ] [ 0.5 0.5 0.5 ] [ 0.5 0.029219 0.25 ] [ 0.13863 0.481546 0.365694 ] [ 0.858963 0.003797 0.292764 ] [ 0.275463 0.690014 0.094294 ] [ 0.258506 0.190837 0.041388 ] [ 0.141037 0.003797 0.207236 ] [ 0.86137 0.481546 0.134306 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "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" 7.86363977 "source-unit" "angstrom" } "b" { "source-value" 5.23954256 "source-unit" "angstrom" } "c" { "source-value" 12.06847105 "source-unit" "angstrom" } "beta" { "source-value" 112.92709326 "source-unit" "degree" } }