{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.416163 0.147639 0.114529 ] [ 0.083837 0.647639 0.885471 ] [ 0.583837 0.852361 0.885471 ] [ 0.916163 0.352361 0.114529 ] [ 0.233858 0.623958 0.526173 ] [ 0.266142 0.123958 0.473827 ] [ 0.766142 0.376042 0.473827 ] [ 0.733858 0.876042 0.526173 ] [ 0.459478 0.58744 0.202244 ] [ 0.040522 0.08744 0.797756 ] [ 0.540522 0.41256 0.797756 ] [ 0.959478 0.91256 0.202244 ] [ 0.643405 0.430751 0.205448 ] [ 0.856595 0.930751 0.794552 ] [ 0.356595 0.569249 0.794552 ] [ 0.143405 0.069249 0.205448 ] [ 0.252302 0.457415 0.135125 ] [ 0.247698 0.957415 0.864875 ] [ 0.747698 0.542585 0.864875 ] [ 0.752302 0.042585 0.135125 ] [ 0.508229 0.638907 0.384897 ] [ 0.991771 0.138907 0.615103 ] [ 0.491771 0.361093 0.615103 ] [ 0.008229 0.861093 0.384897 ] [ 0.445958 0.767686 0.093562 ] [ 0.054042 0.267686 0.906438 ] [ 0.554042 0.232314 0.906438 ] [ 0.945958 0.732314 0.093562 ] [ 0.05221 0.379285 0.384145 ] [ 0.44779 0.879285 0.615855 ] [ 0.94779 0.620715 0.615855 ] [ 0.55221 0.120715 0.384145 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.7833770495 "source-unit" "angstrom" } "b" { "source-value" 7.11197387 "source-unit" "angstrom" } "c" { "source-value" 9.22453326212 "source-unit" "angstrom" } "beta" { "source-value" 107.512207733 "source-unit" "degree" } }