{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.901296 0.5 0.648106 ] [ 0.098704 0.5 0.351894 ] [ 0.401296 0 0.648106 ] [ 0.598704 0 0.351894 ] [ 0.147379 0 0.908173 ] [ 0.852621 0 0.091827 ] [ 0.647379 0.5 0.908173 ] [ 0.352621 0.5 0.091827 ] [ 0.822097 0.5 0.010839 ] [ 0.177903 0.5 0.989161 ] [ 0.125662 0 0.647387 ] [ 0.874338 0 0.352613 ] [ 0 0 0 ] [ 0.322097 0 0.010839 ] [ 0.677903 0 0.989161 ] [ 0.625662 0.5 0.647387 ] [ 0.374338 0.5 0.352613 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ti" "Ti" "Ti" "Ti" "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" 11.5247437759 "source-unit" "angstrom" } "b" { "source-value" 3.8069722 "source-unit" "angstrom" } "c" { "source-value" 6.73078808937 "source-unit" "angstrom" } "beta" { "source-value" 99.5071616173 "source-unit" "degree" } }