{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.774259 0.5 0.111044 ] [ 0.771282 0.5 0.626413 ] [ 0.257697 0 0.378531 ] [ 0.200875 0 0.875383 ] [ 0.95304 0.5 0.872519 ] [ 0.028543 0 0.114262 ] [ 0.030376 0 0.631163 ] [ 0.965521 0.5 0.371426 ] [ 0.374365 0.5 0.233847 ] [ 0.360563 0.5 0.539944 ] [ 0.423749 0.5 0.888887 ] [ 0.554131 0 0.058647 ] [ 0.646339 0 0.401688 ] [ 0.572861 0 0.722595 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "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" 5.76370776 "source-unit" "angstrom" } "b" { "source-value" 3.94574677 "source-unit" "angstrom" } "c" { "source-value" 8.4599231 "source-unit" "angstrom" } "beta" { "source-value" 91.13117947 "source-unit" "degree" } }