{ "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" [ [ 0.792023 0.526458 0.196531 ] [ 0.792023 0.973542 0.196531 ] [ 0.207977 0.473542 0.803469 ] [ 0.207977 0.026458 0.803469 ] [ 0.256674 0.25 0.375463 ] [ 0.743326 0.75 0.624537 ] [ 0.259343 0.75 0.397404 ] [ 0.740657 0.25 0.602596 ] [ 0.259325 0.25 0.068493 ] [ 0.740675 0.75 0.931507 ] [ 0.722748 0.75 0.06785 ] [ 0.029876 0.25 0.130084 ] [ 0.477066 0.25 0.156942 ] [ 0.115835 0.931775 0.334972 ] [ 0.115835 0.568225 0.334972 ] [ 0.757047 0.25 0.43346 ] [ 0.563541 0.75 0.371757 ] [ 0.436459 0.25 0.628243 ] [ 0.242953 0.75 0.56654 ] [ 0.884165 0.431775 0.665028 ] [ 0.884165 0.068225 0.665028 ] [ 0.522934 0.75 0.843058 ] [ 0.970124 0.75 0.869916 ] [ 0.277252 0.25 0.93215 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Nd" "Nd" "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" 4.99301511 "source-unit" "angstrom" } "b" { "source-value" 6.91864847 "source-unit" "angstrom" } "c" { "source-value" 9.28413445 "source-unit" "angstrom" } "beta" { "source-value" 93.15125477 "source-unit" "degree" } }