{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.65442 0.378526 0.835906 ] [ 0.34558 0.878526 0.664094 ] [ 0.65442 0.121474 0.335906 ] [ 0.34558 0.621474 0.164094 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.029157 0.805551 0.860134 ] [ 0.651872 0.848435 0.96724 ] [ 0.348806 0.060062 0.89326 ] [ 0.07509 0.394166 0.771869 ] [ 0.088554 0.629665 0.754535 ] [ 0.676476 0.087128 0.787027 ] [ 0.323524 0.587128 0.712973 ] [ 0.911446 0.129665 0.745465 ] [ 0.92491 0.894166 0.728131 ] [ 0.651194 0.560062 0.60674 ] [ 0.348128 0.348435 0.53276 ] [ 0.970843 0.305551 0.639866 ] [ 0.029157 0.694449 0.360134 ] [ 0.651872 0.651565 0.46724 ] [ 0.348806 0.439938 0.39326 ] [ 0.07509 0.105834 0.271869 ] [ 0.088554 0.870335 0.254535 ] [ 0.676476 0.412872 0.287027 ] [ 0.323524 0.912872 0.212973 ] [ 0.911446 0.370335 0.245465 ] [ 0.92491 0.605834 0.228131 ] [ 0.651194 0.939938 0.10674 ] [ 0.348128 0.151565 0.03276 ] [ 0.970843 0.194449 0.139866 ] [ 0.719077 0.632742 0.922701 ] [ 0.280923 0.132742 0.577299 ] [ 0.719077 0.867258 0.422701 ] [ 0.280923 0.367258 0.077299 ] [ 0.302634 0.408213 0.91722 ] [ 0.69103 0.927968 0.001558 ] [ 0.059634 0.880992 0.818081 ] [ 0.563938 0.731622 0.877982 ] [ 0.967612 0.662413 0.921116 ] [ 0.832137 0.115042 0.835515 ] [ 0.641282 0.540893 0.803691 ] [ 0.358718 0.040893 0.696309 ] [ 0.167863 0.615042 0.664485 ] [ 0.032388 0.162413 0.578884 ] [ 0.436062 0.231622 0.622018 ] [ 0.940366 0.380992 0.681919 ] [ 0.30897 0.427968 0.498442 ] [ 0.697366 0.908213 0.58278 ] [ 0.302634 0.091787 0.41722 ] [ 0.69103 0.572032 0.501558 ] [ 0.059634 0.619008 0.318081 ] [ 0.563938 0.768378 0.377982 ] [ 0.967612 0.837587 0.421116 ] [ 0.832137 0.384958 0.335515 ] [ 0.641282 0.959107 0.303691 ] [ 0.358718 0.459107 0.196309 ] [ 0.167863 0.884958 0.164485 ] [ 0.032388 0.337587 0.078884 ] [ 0.436062 0.268378 0.122018 ] [ 0.940366 0.119008 0.181919 ] [ 0.30897 0.072032 0.998442 ] [ 0.697366 0.591787 0.08278 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "S" "S" "S" "S" "O" "O" "O" "O" "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" 5.85036604 "source-unit" "angstrom" } "b" { "source-value" 11.84040125 "source-unit" "angstrom" } "c" { "source-value" 8.60100582 "source-unit" "angstrom" } "beta" { "source-value" 101.11992268 "source-unit" "degree" } }