{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.965102 0 0.622433 ] [ 0.656131 0.5 0.032996 ] [ 0.378904 0 0.343758 ] [ 0.379799 0.5 0.343789 ] [ 0.679518 0.249257 0.70688 ] [ 0.679518 0.750743 0.70688 ] [ 0.020195 0.751258 0.324678 ] [ 0.020195 0.248742 0.324678 ] [ 0.299107 0.252513 0.965686 ] [ 0.299107 0.747487 0.965686 ] [ 0.663802 0.250089 0.331386 ] [ 0.663802 0.749911 0.331386 ] [ 0.0045 0 0.003693 ] [ 0.998513 0.5 0.001392 ] [ 0.334735 0 0.663467 ] [ 0.33445 0.5 0.668254 ] [ 0.93288 0 0.113464 ] [ 0.926464 0.5 0.115098 ] [ 0.844665 0.765997 0.441102 ] [ 0.844665 0.234003 0.441102 ] [ 0.590331 0.26939 0.151685 ] [ 0.590331 0.73061 0.151685 ] [ 0.894264 0 0.819567 ] [ 0.888543 0.5 0.820423 ] [ 0.551193 0.247253 0.406197 ] [ 0.551193 0.752747 0.406197 ] [ 0.189948 0 0.072681 ] [ 0.182833 0.5 0.075304 ] [ 0.517156 0 0.745215 ] [ 0.520632 0.5 0.752194 ] [ 0.233341 0 0.4785 ] [ 0.237289 0.5 0.484496 ] [ 0.246189 0 0.760945 ] [ 0.25165 0.5 0.768882 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "C" "C" "C" "C" "C" "C" "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" 8.10594606 "source-unit" "angstrom" } "b" { "source-value" 6.18749563 "source-unit" "angstrom" } "c" { "source-value" 8.1494548 "source-unit" "angstrom" } "beta" { "source-value" 119.61804229 "source-unit" "degree" } }