{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.936864 0.75 ] [ 0 0.063136 0.25 ] [ 0.5 0.436864 0.75 ] [ 0.5 0.563136 0.25 ] [ 0.136291 0.999913 0.568085 ] [ 0.863709 0.000087 0.431915 ] [ 0.136291 0.000087 0.068085 ] [ 0.863709 0.999913 0.931915 ] [ 0.636291 0.499913 0.568085 ] [ 0.363709 0.500087 0.431915 ] [ 0.636291 0.500087 0.068085 ] [ 0.363709 0.499913 0.931915 ] [ 0 0.514205 0.25 ] [ 0 0.485795 0.75 ] [ 0.5 0.014205 0.25 ] [ 0.5 0.985795 0.75 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 12.6144211 "source-unit" "angstrom" } "b" { "source-value" 3.75120069 "source-unit" "angstrom" } "c" { "source-value" 7.00121293 "source-unit" "angstrom" } "beta" { "source-value" 106.06960914 "source-unit" "degree" } }