{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_5" } "basis-atom-coordinates" { "source-value" [ [ 0.30493 0.114739 0.153552 ] [ 0.148245 0.315155 0.316218 ] [ 0.315155 0.16691 0.482884 ] [ 0.190191 0.30493 0.986885 ] [ 0.16526 0.367296 0.622458 ] [ 0.367296 0.202035 0.789125 ] [ 0.114739 0.809809 0.320218 ] [ 0.797965 0.16526 0.455791 ] [ 0.83309 0.148245 0.149551 ] [ 0.653936 0.334419 0.344409 ] [ 0.319517 0.653936 0.177742 ] [ 0.334419 0.680483 0.511076 ] [ 0.665581 0.319517 0.011076 ] [ 0.680483 0.346064 0.677742 ] [ 0.346064 0.665581 0.844409 ] [ 0.16691 0.851755 0.649551 ] [ 0.202035 0.83474 0.955791 ] [ 0.885261 0.190191 0.820218 ] [ 0.632704 0.797965 0.289125 ] [ 0.83474 0.632704 0.122458 ] [ 0.809809 0.69507 0.486885 ] [ 0.684845 0.83309 0.982884 ] [ 0.851755 0.684845 0.816218 ] [ 0.69507 0.885261 0.653552 ] [ 0.325373 0.115895 0.026807 ] [ 0.305188 0.144246 0.356774 ] [ 0.160943 0.305188 0.190107 ] [ 0.130968 0.345333 0.496088 ] [ 0.209478 0.325373 0.860141 ] [ 0.345333 0.214365 0.662755 ] [ 0.115895 0.790522 0.193474 ] [ 0.785635 0.130968 0.329422 ] [ 0.646323 0.318411 0.14522 ] [ 0.327912 0.646323 0.978554 ] [ 0.144246 0.839057 0.52344 ] [ 0.318411 0.672088 0.311887 ] [ 0.681589 0.327912 0.811887 ] [ 0.855754 0.160943 0.02344 ] [ 0.672088 0.353677 0.478554 ] [ 0.353677 0.681589 0.64522 ] [ 0.214365 0.869032 0.829422 ] [ 0.884105 0.209478 0.693474 ] [ 0.654667 0.785635 0.162755 ] [ 0.790522 0.674627 0.360141 ] [ 0.869032 0.654667 0.996088 ] [ 0.839057 0.694812 0.690107 ] [ 0.694812 0.855754 0.856774 ] [ 0.674627 0.884105 0.526807 ] [ 0.182246 0.012884 0.32417 ] [ 0.200742 0.992609 0.99223 ] [ 0.221713 0.049242 0.660962 ] [ 0.995346 0.26476 0.194755 ] [ 0.169362 0.182246 0.157503 ] [ 0.000029 0.308369 0.457016 ] [ 0.172471 0.221713 0.494295 ] [ 0.325409 0.056473 0.084457 ] [ 0.208133 0.200742 0.825564 ] [ 0.048078 0.296492 0.865315 ] [ 0.314721 0.091055 0.414575 ] [ 0.085755 0.361959 0.554658 ] [ 0.223666 0.314721 0.247909 ] [ 0.26476 0.269414 0.361422 ] [ 0.268936 0.325409 0.91779 ] [ 0.296492 0.248414 0.031982 ] [ 0.476171 0.163609 0.998432 ] [ 0.308369 0.308339 0.623683 ] [ 0.455923 0.202368 0.327335 ] [ 0.191819 0.510549 0.32185 ] [ 0.361959 0.276204 0.721325 ] [ 0.496084 0.230818 0.644304 ] [ 0.691661 0.000029 0.290349 ] [ 0.22195 0.493558 0.004289 ] [ 0.730586 0.995346 0.028089 ] [ 0.253555 0.455923 0.160668 ] [ 0.232819 0.5313 0.670003 ] [ 0.265266 0.496084 0.477637 ] [ 0.056473 0.731064 0.251124 ] [ 0.493558 0.271608 0.170956 ] [ 0.723796 0.085755 0.387992 ] [ 0.751586 0.048078 0.698649 ] [ 0.312562 0.476171 0.831766 ] [ 0.163609 0.687438 0.165099 ] [ 0.68127 0.191819 0.155183 ] [ 0.992609 0.791867 0.158897 ] [ 0.091055 0.776334 0.581242 ] [ 0.510549 0.31873 0.488516 ] [ 0.5313 0.298481 0.836669 ] [ 0.701519 0.232819 0.503336 ] [ 0.012884 0.830638 0.490836 ] [ 0.290678 0.643182 0.917517 ] [ 0.647496 0.290678 0.75085 ] [ 0.049242 0.827529 0.827629 ] [ 0.202368 0.746445 0.494001 ] [ 0.230818 0.734734 0.81097 ] [ 0.728392 0.22195 0.837623 ] [ 0.643182 0.352504 0.084184 ] [ 0.356818 0.647496 0.584184 ] [ 0.271608 0.77805 0.337623 ] [ 0.769182 0.265266 0.31097 ] [ 0.797632 0.253555 0.994001 ] [ 0.950758 0.172471 0.327629 ] [ 0.352504 0.709322 0.25085 ] [ 0.709322 0.356818 0.417517 ] [ 0.987116 0.169362 0.990836 ] [ 0.298481 0.767181 0.003336 ] [ 0.4687 0.701519 0.336669 ] [ 0.489451 0.68127 0.988516 ] [ 0.908945 0.223666 0.081242 ] [ 0.007391 0.208133 0.658897 ] [ 0.31873 0.808181 0.655183 ] [ 0.836391 0.312562 0.665099 ] [ 0.687438 0.523829 0.331766 ] [ 0.248414 0.951922 0.198649 ] [ 0.276204 0.914245 0.887992 ] [ 0.506442 0.728392 0.670956 ] [ 0.943527 0.268936 0.751124 ] [ 0.734734 0.503916 0.977637 ] [ 0.767181 0.4687 0.170003 ] [ 0.746445 0.544077 0.660668 ] [ 0.269414 0.004654 0.528089 ] [ 0.77805 0.506442 0.504289 ] [ 0.308339 0.999971 0.790349 ] [ 0.503916 0.769182 0.144304 ] [ 0.638041 0.723796 0.221325 ] [ 0.808181 0.489451 0.82185 ] [ 0.544077 0.797632 0.827335 ] [ 0.691631 0.691661 0.123683 ] [ 0.523829 0.836391 0.498432 ] [ 0.703508 0.751586 0.531982 ] [ 0.731064 0.674591 0.41779 ] [ 0.73524 0.730586 0.861422 ] [ 0.776334 0.685279 0.747909 ] [ 0.914245 0.638041 0.054658 ] [ 0.685279 0.908945 0.914575 ] [ 0.951922 0.703508 0.365315 ] [ 0.791867 0.799258 0.325564 ] [ 0.674591 0.943527 0.584457 ] [ 0.827529 0.778287 0.994295 ] [ 0.999971 0.691631 0.957016 ] [ 0.830638 0.817754 0.657503 ] [ 0.004654 0.73524 0.694755 ] [ 0.778287 0.950758 0.160962 ] [ 0.799258 0.007391 0.49223 ] [ 0.817754 0.987116 0.82417 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" "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" "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" "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" 10.38209733 "source-unit" "angstrom" } "c" { "source-value" 24.7278926 "source-unit" "angstrom" } }