{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.248413 0.871926 0.247889 ] [ 0.001534 0.123001 0.251917 ] [ 0.998466 0.123001 0.748083 ] [ 0.751587 0.871926 0.752111 ] [ 0.748413 0.371926 0.247889 ] [ 0.501534 0.623001 0.251917 ] [ 0.498466 0.623001 0.748083 ] [ 0.251587 0.371926 0.752111 ] [ 0.449046 0.114878 0.210157 ] [ 0.752025 0.876612 0.303085 ] [ 0.747975 0.376612 0.696915 ] [ 0.050954 0.614878 0.789843 ] [ 0.949046 0.614878 0.210157 ] [ 0.252025 0.376612 0.303085 ] [ 0.247975 0.876612 0.696915 ] [ 0.550954 0.114878 0.789843 ] [ 0 0.813522 0 ] [ 0 0.488967 0 ] [ 0.790458 0.006419 0.979283 ] [ 0.31916 0.761338 0.528273 ] [ 0.803764 0.992082 0.590827 ] [ 0.292689 0.735921 0.112059 ] [ 0.5 0.959974 0.5 ] [ 0.5 0.538811 0.5 ] [ 0 0.740449 0.5 ] [ 0.207311 0.235921 0.887941 ] [ 0.196236 0.992082 0.409173 ] [ 0.18084 0.261338 0.471727 ] [ 0.209542 0.006419 0.020717 ] [ 0 0.186927 0 ] [ 0.5 0.313522 0 ] [ 0.5 0.988967 0 ] [ 0.290458 0.506419 0.979283 ] [ 0.81916 0.261338 0.528273 ] [ 0.303764 0.492082 0.590827 ] [ 0.792689 0.235921 0.112059 ] [ 0 0.459974 0.5 ] [ 0 0.038811 0.5 ] [ 0.5 0.240449 0.5 ] [ 0.707311 0.735921 0.887941 ] [ 0.696236 0.492082 0.409173 ] [ 0.68084 0.761338 0.471727 ] [ 0.709542 0.506419 0.020717 ] [ 0.5 0.686927 0 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.9554250528 "source-unit" "angstrom" } "b" { "source-value" 10.850468811 "source-unit" "angstrom" } "c" { "source-value" 7.71744643447 "source-unit" "angstrom" } "beta" { "source-value" 135.170405809 "source-unit" "degree" } }