{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.628866 0.477091 0.664845 ] [ 0.871134 0.977091 0.835155 ] [ 0.371134 0.522909 0.335155 ] [ 0.128866 0.022909 0.164845 ] [ 0.028163 0.81066 0.51322 ] [ 0.471837 0.31066 0.98678 ] [ 0.971837 0.18934 0.48678 ] [ 0.528163 0.68934 0.01322 ] [ 0.233696 0.985462 0.618638 ] [ 0.266304 0.485462 0.881362 ] [ 0.766304 0.014538 0.381362 ] [ 0.733696 0.514538 0.118638 ] [ 0.400874 0.966882 0.693091 ] [ 0.099126 0.466882 0.806909 ] [ 0.599126 0.033118 0.306909 ] [ 0.900874 0.533118 0.193091 ] [ 0.141959 0.179367 0.581064 ] [ 0.358041 0.679367 0.918936 ] [ 0.858041 0.820633 0.418936 ] [ 0.641959 0.320633 0.081064 ] [ 0.145997 0.781271 0.576145 ] [ 0.354003 0.281271 0.923855 ] [ 0.854003 0.218729 0.423855 ] [ 0.645997 0.718729 0.076145 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "H" "H" "H" "H" "C" "C" "C" "C" "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" 3.77137164368 "source-unit" "angstrom" } "b" { "source-value" 5.71983206 "source-unit" "angstrom" } "c" { "source-value" 14.7711266861 "source-unit" "angstrom" } "beta" { "source-value" 91.0226531638 "source-unit" "degree" } }