{ "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" [ [ 0.847453 0.5 0.648394 ] [ 0.652547 0 0.351606 ] [ 0.347453 0 0.648394 ] [ 0.152547 0.5 0.351606 ] [ 0.5 0.668996 0 ] [ 0 0.831004 0 ] [ 0 0.168996 0 ] [ 0.5 0.331004 0 ] [ 0.718309 0.5 0.234071 ] [ 0.781691 0 0.765929 ] [ 0.766836 0.178027 0.216305 ] [ 0.733164 0.678027 0.783695 ] [ 0.733164 0.321973 0.783695 ] [ 0.766836 0.821973 0.216305 ] [ 0.218309 0 0.234071 ] [ 0.281691 0.5 0.765929 ] [ 0.266836 0.678027 0.216305 ] [ 0.233164 0.178027 0.783695 ] [ 0.233164 0.821973 0.783695 ] [ 0.266836 0.321973 0.216305 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Sb" "Sb" "Sb" "Sb" "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" 5.36737283 "source-unit" "angstrom" } "b" { "source-value" 9.16223742 "source-unit" "angstrom" } "c" { "source-value" 5.37719846 "source-unit" "angstrom" } "beta" { "source-value" 113.16092017 "source-unit" "degree" } }