{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.241547 0.75 0.098243 ] [ 0.750833 0.99681 0.239857 ] [ 0.750833 0.50319 0.239857 ] [ 0.249167 0.49681 0.760143 ] [ 0.249167 0.00319 0.760143 ] [ 0.758453 0.25 0.901757 ] [ 0.211399 0.25 0.3271 ] [ 0.788601 0.75 0.6729 ] [ 0.285679 0.25 0.043569 ] [ 0.714321 0.75 0.956431 ] [ 0.260042 0.75 0.414159 ] [ 0.739958 0.25 0.585841 ] [ 0.643517 0.75 0.108796 ] [ 0.026143 0.25 0.092507 ] [ 0.482495 0.25 0.177922 ] [ 0.171924 0.931037 0.306525 ] [ 0.171924 0.568963 0.306525 ] [ 0.570298 0.75 0.457007 ] [ 0.866666 0.25 0.422126 ] [ 0.133334 0.75 0.577874 ] [ 0.429702 0.25 0.542993 ] [ 0.828076 0.431037 0.693475 ] [ 0.828076 0.068963 0.693475 ] [ 0.517505 0.75 0.822078 ] [ 0.973857 0.75 0.907493 ] [ 0.356483 0.25 0.891204 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "B" "B" "P" "P" "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" 4.99578552 "source-unit" "angstrom" } "b" { "source-value" 6.68594635 "source-unit" "angstrom" } "c" { "source-value" 8.31563672 "source-unit" "angstrom" } "beta" { "source-value" 95.41218916 "source-unit" "degree" } }