{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.164629 0.5 0.902467 ] [ 0.997333 0 0.985708 ] [ 0.999706 0 0.495582 ] [ 0.83206 0.5 0.406333 ] [ 0.664629 0 0.902467 ] [ 0.497333 0.5 0.985708 ] [ 0.499706 0.5 0.495582 ] [ 0.33206 0 0.406333 ] [ 0.092872 0.250118 0.220531 ] [ 0.092872 0.749882 0.220531 ] [ 0.175846 0 0.73242 ] [ 0.592872 0.750118 0.220531 ] [ 0.592872 0.249882 0.220531 ] [ 0.675846 0.5 0.73242 ] [ 0.16677 0.5 0.500401 ] [ 0.848973 0.5 0.987963 ] [ 0.66677 0 0.500401 ] [ 0.348973 0 0.987963 ] [ 0.828767 0 0.20927 ] [ 0.914153 0.253208 0.708289 ] [ 0.914153 0.746792 0.708289 ] [ 0.328767 0.5 0.20927 ] [ 0.414153 0.753208 0.708289 ] [ 0.414153 0.246792 0.708289 ] [ 0.086678 0.250698 0.589817 ] [ 0.017284 0.5 0.332366 ] [ 0.151139 0.5 0.10633 ] [ 0.004586 0 0.305487 ] [ 0.004173 0 0.797853 ] [ 0.086678 0.749302 0.589817 ] [ 0.232238 0.268634 0.338057 ] [ 0.232238 0.731366 0.338057 ] [ 0.162557 0 0.102809 ] [ 0.83078 0 0.581884 ] [ 0.749232 0.280429 0.847308 ] [ 0.249232 0.219571 0.847308 ] [ 0.81855 0.5 0.608371 ] [ 0.915945 0.250006 0.093365 ] [ 0.980112 0.5 0.854037 ] [ 0.915945 0.749994 0.093365 ] [ 0.586678 0.750698 0.589817 ] [ 0.517284 0 0.332366 ] [ 0.651139 0 0.10633 ] [ 0.504586 0.5 0.305487 ] [ 0.504173 0.5 0.797853 ] [ 0.586678 0.249302 0.589817 ] [ 0.732238 0.768634 0.338057 ] [ 0.732238 0.231366 0.338057 ] [ 0.662557 0.5 0.102809 ] [ 0.33078 0.5 0.581884 ] [ 0.249232 0.780429 0.847308 ] [ 0.749232 0.719571 0.847308 ] [ 0.31855 0 0.608371 ] [ 0.415945 0.750006 0.093365 ] [ 0.480112 0 0.854037 ] [ 0.415945 0.249994 0.093365 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Nb" "Nb" "Nb" "Nb" "Co" "Co" "Co" "Co" "Co" "Co" "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" "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" 10.44869807 "source-unit" "angstrom" } "b" { "source-value" 5.97731119 "source-unit" "angstrom" } "c" { "source-value" 9.84726762 "source-unit" "angstrom" } "beta" { "source-value" 90.27510004 "source-unit" "degree" } }