{ "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" [ [ 0.85203 0.849345 0.187979 ] [ 0.85203 0.650655 0.687979 ] [ 0.14797 0.150655 0.812021 ] [ 0.14797 0.349345 0.312021 ] [ 0.323407 0.616899 0.77265 ] [ 0.676593 0.116899 0.72735 ] [ 0.676593 0.383101 0.22735 ] [ 0.323407 0.883101 0.27265 ] [ 0.493861 0.309259 0.350977 ] [ 0.826377 0.966581 0.863387 ] [ 0.829616 0.198018 0.199097 ] [ 0.829616 0.301982 0.699097 ] [ 0.173623 0.466581 0.636613 ] [ 0.506139 0.809259 0.149023 ] [ 0.170384 0.801982 0.800903 ] [ 0.826377 0.533419 0.363387 ] [ 0.506139 0.690741 0.649023 ] [ 0.493861 0.190741 0.850977 ] [ 0.170384 0.698018 0.300903 ] [ 0.173623 0.033419 0.136613 ] [ 0.804873 0.897857 0.48644 ] [ 0.195127 0.397857 0.01356 ] [ 0.195127 0.102143 0.51356 ] [ 0.804873 0.602143 0.98644 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Se" "Se" "Se" "Se" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.90153442082 "source-unit" "angstrom" } "b" { "source-value" 6.96499549 "source-unit" "angstrom" } "c" { "source-value" 7.13997689514 "source-unit" "angstrom" } "beta" { "source-value" 96.0769999641 "source-unit" "degree" } }