{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.47569 0.249188 0.002011 ] [ 0.97569 0.750812 0.002011 ] [ 0.495111 0.424157 0.62131 ] [ 0.247265 0.985973 0.379824 ] [ 0.747265 0.014027 0.379824 ] [ 0.995111 0.575843 0.62131 ] [ 0.339228 0.379565 0.669874 ] [ 0.07388 0.882504 0.331953 ] [ 0.57388 0.117496 0.331953 ] [ 0.839228 0.620435 0.669874 ] [ 0.324688 0.560546 0.110834 ] [ 0.121878 0.068056 0.89612 ] [ 0.621878 0.931944 0.89612 ] [ 0.824688 0.439454 0.110834 ] ] } "species" { "source-value" [ "Te" "Te" "H" "H" "H" "H" "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" 5.25799659355 "source-unit" "angstrom" } "b" { "source-value" 4.97577139 "source-unit" "angstrom" } "c" { "source-value" 5.96187453486 "source-unit" "angstrom" } "beta" { "source-value" 112.252840062 "source-unit" "degree" } }