{ "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 0 0 ] [ 0 0.844788 0.5 ] [ 0.5 0 0.5 ] [ 0 0.155212 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.344788 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.655212 0.5 ] [ 0 0.677467 0 ] [ 0 0.322533 0 ] [ 0.5 0.177467 0 ] [ 0.5 0.822533 0 ] [ 0.743706 0.14997 0.693918 ] [ 0.803955 0 0.250067 ] [ 0.256294 0.14997 0.306082 ] [ 0.743706 0.85003 0.693918 ] [ 0.196045 0 0.749933 ] [ 0.256294 0.85003 0.306082 ] [ 0.243706 0.64997 0.693918 ] [ 0.303955 0.5 0.250067 ] [ 0.756294 0.64997 0.306082 ] [ 0.243706 0.35003 0.693918 ] [ 0.696045 0.5 0.749933 ] [ 0.756294 0.35003 0.306082 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ag" "Ag" "Ag" "Ag" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.47647937 "source-unit" "angstrom" } "b" { "source-value" 9.44269115 "source-unit" "angstrom" } "c" { "source-value" 5.52020202 "source-unit" "angstrom" } "beta" { "source-value" 108.40313696 "source-unit" "degree" } }