{ "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" [ [ 0.320807 0.182193 0.186356 ] [ 0.265796 0.081949 0.597046 ] [ 0.761443 0.414062 0.096003 ] [ 0.679193 0.682193 0.813644 ] [ 0.734204 0.581949 0.402954 ] [ 0.238557 0.914062 0.903997 ] [ 0.287369 0.366232 0.808387 ] [ 0.712631 0.866232 0.191613 ] [ 0.79527 0.148889 0.328131 ] [ 0.20473 0.648889 0.671869 ] [ 0.485838 0.110291 0.968669 ] [ 0.514162 0.610291 0.031331 ] [ 0.523255 0.476405 0.61002 ] [ 0.476745 0.976405 0.38998 ] [ 0.022476 0.017724 0.116047 ] [ 0.977524 0.517724 0.883953 ] [ 0.991422 0.39282 0.467155 ] [ 0.008578 0.89282 0.532845 ] [ 0.358052 0.149535 0.827435 ] [ 0.473218 0.482552 0.009997 ] [ 0.440627 0.697509 0.91392 ] [ 0.559373 0.197509 0.08608 ] [ 0.526782 0.982552 0.990003 ] [ 0.641948 0.649535 0.172565 ] [ 0.368874 0.955175 0.473536 ] [ 0.476328 0.37657 0.68796 ] [ 0.461472 0.598979 0.62321 ] [ 0.538528 0.098979 0.37679 ] [ 0.523672 0.87657 0.31204 ] [ 0.847406 0.531624 0.953102 ] [ 0.631126 0.455175 0.526464 ] [ 0.995892 0.116306 0.203096 ] [ 0.924526 0.904158 0.097549 ] [ 0.075474 0.404158 0.902451 ] [ 0.004108 0.616306 0.796904 ] [ 0.152594 0.031624 0.046898 ] [ 0.859952 0.350947 0.32867 ] [ 0.974546 0.019105 0.514992 ] [ 0.920008 0.805165 0.417932 ] [ 0.079992 0.305165 0.582068 ] [ 0.025454 0.519105 0.485008 ] [ 0.140048 0.850947 0.67133 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "C" "C" "C" "C" "C" "C" "C" "C" "O" "O" "O" "O" "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" 7.16825374 "source-unit" "angstrom" } "b" { "source-value" 9.97812264 "source-unit" "angstrom" } "c" { "source-value" 8.63687803 "source-unit" "angstrom" } "beta" { "source-value" 111.35383634 "source-unit" "degree" } }