{ "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" [ [ 0.025301 0 0.702644 ] [ 0.295646 0.5 0.320554 ] [ 0.978395 0.254513 0.344631 ] [ 0.978395 0.745487 0.344631 ] [ 0.653273 0.75573 0.642673 ] [ 0.653273 0.24427 0.642673 ] [ 0.374413 0.253136 0.009308 ] [ 0.374413 0.746864 0.009308 ] [ 0.670499 0 0.339725 ] [ 0.657824 0.5 0.33337 ] [ 0.006848 0.250318 0.001104 ] [ 0.006848 0.749682 0.001104 ] [ 0.328909 0.250336 0.663123 ] [ 0.328909 0.749664 0.663123 ] [ 0.925007 0.779361 0.820039 ] [ 0.925007 0.220639 0.820039 ] [ 0.85714 0 0.41352 ] [ 0.838947 0.5 0.402948 ] [ 0.603463 0 0.455536 ] [ 0.583295 0.5 0.444725 ] [ 0.906656 0.742646 0.082858 ] [ 0.906656 0.257354 0.082858 ] [ 0.561112 0 0.159543 ] [ 0.544317 0.5 0.150831 ] [ 0.189441 0.273594 0.098808 ] [ 0.189441 0.726406 0.098808 ] [ 0.50798 0.25628 0.775024 ] [ 0.50798 0.74372 0.775024 ] [ 0.217345 0.224117 0.733183 ] [ 0.217345 0.775883 0.733183 ] [ 0.256692 0.271204 0.481639 ] [ 0.256692 0.728796 0.481639 ] ] } "species" { "source-value" [ "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" 8.12560183 "source-unit" "angstrom" } "b" { "source-value" 6.51842614 "source-unit" "angstrom" } "c" { "source-value" 8.13307945 "source-unit" "angstrom" } "beta" { "source-value" 119.68359478 "source-unit" "degree" } }