{ "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" [ [ 0.714781 0.627465 0.762511 ] [ 0.285219 0.127465 0.237489 ] [ 0.727858 0.772841 0.257615 ] [ 0.272142 0.272841 0.742385 ] [ 0.862798 0.008251 0.907636 ] [ 0.137202 0.508251 0.092364 ] [ 0.266474 0.903058 0.581324 ] [ 0.733526 0.403058 0.418676 ] [ 0.231793 0.815711 0.940247 ] [ 0.768207 0.315711 0.059753 ] [ 0.241687 0.585222 0.452821 ] [ 0.758313 0.085222 0.547179 ] [ 0.08218 0.899426 0.068429 ] [ 0.91782 0.399426 0.931571 ] [ 0.079336 0.876945 0.78168 ] [ 0.920664 0.376945 0.21832 ] [ 0.526877 0.844324 0.94454 ] [ 0.473123 0.344324 0.05546 ] [ 0.172306 0.660738 0.941205 ] [ 0.827694 0.160738 0.058795 ] [ 0.601404 0.959603 0.479311 ] [ 0.398596 0.459603 0.520689 ] [ 0.344574 0.7127 0.545151 ] [ 0.655426 0.2127 0.454849 ] [ 0.292184 0.608438 0.271689 ] [ 0.707816 0.108438 0.728311 ] [ 0.939918 0.566817 0.477628 ] [ 0.060082 0.066817 0.522372 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 5.06792004565 "source-unit" "angstrom" } "b" { "source-value" 9.78243352 "source-unit" "angstrom" } "c" { "source-value" 8.36129504885 "source-unit" "angstrom" } "beta" { "source-value" 92.391958802 "source-unit" "degree" } }