{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.243792 0 0.840252 ] [ 0.743792 0.5 0.840252 ] [ 0.960814 0 0.98491 ] [ 0.715226 0 0.134795 ] [ 0.429454 0 0.277084 ] [ 0.140281 0 0.420241 ] [ 0.586843 0 0.705493 ] [ 0.850796 0 0.562959 ] [ 0.460814 0.5 0.98491 ] [ 0.215226 0.5 0.134795 ] [ 0.929454 0.5 0.277084 ] [ 0.640281 0.5 0.420241 ] [ 0.086843 0.5 0.705493 ] [ 0.350796 0.5 0.562959 ] [ 0.398583 0 0.171506 ] [ 0.039809 0 0.099899 ] [ 0.106996 0 0.31208 ] [ 0.751949 0 0.238169 ] [ 0.31749 0.5 0.454705 ] [ 0.462321 0 0.383019 ] [ 0.531901 0 0.59949 ] [ 0.674361 0.5 0.526176 ] [ 0.215085 0 0.741999 ] [ 0.923737 0 0.887389 ] [ 0.877298 0 0.665084 ] [ 0.869109 0 0.787748 ] [ 0.569465 0 0.837366 ] [ 0.63692 0 0.015338 ] [ 0.276914 0 0.939725 ] [ 0.898583 0.5 0.171506 ] [ 0.539809 0.5 0.099899 ] [ 0.606996 0.5 0.31208 ] [ 0.251949 0.5 0.238169 ] [ 0.81749 0 0.454705 ] [ 0.962321 0.5 0.383019 ] [ 0.031901 0.5 0.59949 ] [ 0.174361 0 0.526176 ] [ 0.715085 0.5 0.741999 ] [ 0.423737 0.5 0.887389 ] [ 0.377298 0.5 0.665084 ] [ 0.369109 0.5 0.787748 ] [ 0.069465 0.5 0.837366 ] [ 0.13692 0.5 0.015338 ] [ 0.776914 0.5 0.939725 ] ] } "species" { "source-value" [ "Nd" "Nd" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 7.23245367 "source-unit" "angstrom" } "b" { "source-value" 4.21585121 "source-unit" "angstrom" } "c" { "source-value" 24.62191978 "source-unit" "angstrom" } "beta" { "source-value" 95.85388448 "source-unit" "degree" } }