{ "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" [ [ 0.003641 0.243673 0.155807 ] [ 0.003641 0.256327 0.655807 ] [ 0.239433 0.378916 0.342066 ] [ 0.239433 0.121084 0.842066 ] [ 0.760567 0.878916 0.157934 ] [ 0.760567 0.621084 0.657934 ] [ 0.996359 0.743673 0.344193 ] [ 0.996359 0.756327 0.844193 ] [ 0.498972 0.273805 0.133675 ] [ 0.501028 0.773805 0.366325 ] [ 0.498972 0.226195 0.633675 ] [ 0.501028 0.726195 0.866325 ] [ 0.241472 0.748855 0.101691 ] [ 0.241472 0.751145 0.601691 ] [ 0.758528 0.248855 0.398309 ] [ 0.758528 0.251145 0.898309 ] [ 0.041442 0.862196 0.16064 ] [ 0.041442 0.637804 0.66064 ] [ 0.252383 0.434286 0.139921 ] [ 0.251073 0.711825 0.439038 ] [ 0.252383 0.065714 0.639921 ] [ 0.440302 0.888854 0.167141 ] [ 0.251073 0.788175 0.939038 ] [ 0.440302 0.611146 0.667141 ] [ 0.559698 0.388854 0.332859 ] [ 0.748927 0.211825 0.060962 ] [ 0.559698 0.111146 0.832859 ] [ 0.747617 0.934286 0.360079 ] [ 0.748927 0.288175 0.560962 ] [ 0.747617 0.565714 0.860079 ] [ 0.958558 0.362196 0.33936 ] [ 0.958558 0.137804 0.83936 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Si" "Si" "Si" "Si" "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" 6.89459973 "source-unit" "angstrom" } "b" { "source-value" 5.14706992 "source-unit" "angstrom" } "c" { "source-value" 10.09513323 "source-unit" "angstrom" } "beta" { "source-value" 90.18655326 "source-unit" "degree" } }