{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.000631 0.164178 0.997966 ] [ 0.999369 0.664178 0.002034 ] [ 0.673827 0.209299 0.332183 ] [ 0.027398 0.450227 0.425884 ] [ 0.972602 0.950227 0.574116 ] [ 0.513301 0.444924 0.946006 ] [ 0.326173 0.709299 0.667817 ] [ 0.474723 0.978453 0.552271 ] [ 0.525277 0.478453 0.447729 ] [ 0.486699 0.944924 0.053994 ] [ 0.348663 0.520592 0.626692 ] [ 0.689795 0.397371 0.282263 ] [ 0.651337 0.020592 0.373308 ] [ 0.310205 0.897371 0.717737 ] [ 0.32396 0.757399 0.256057 ] [ 0.708408 0.687275 0.088405 ] [ 0.88596 0.959714 0.935426 ] [ 0.67604 0.257399 0.743943 ] [ 0.11404 0.459714 0.064574 ] [ 0.291592 0.187275 0.911595 ] [ 0.119587 0.191838 0.369873 ] [ 0.880413 0.691838 0.630127 ] ] } "species" { "source-value" [ "Cd" "Cd" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "As" "As" "As" "As" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.22331292816 "source-unit" "angstrom" } "b" { "source-value" 13.42812586 "source-unit" "angstrom" } "c" { "source-value" 8.31548375953 "source-unit" "angstrom" } "beta" { "source-value" 117.14158058 "source-unit" "degree" } }