{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.997055 0.033725 0.763302 ] [ 0.26307 0.257751 0.614149 ] [ 0.728775 0.141481 0.987262 ] [ 0.002945 0.966275 0.236698 ] [ 0.73693 0.742249 0.385851 ] [ 0.271225 0.858519 0.012738 ] [ 0.508239 0.88651 0.743015 ] [ 0.842285 0.440482 0.713014 ] [ 0.013377 0.715682 0.917399 ] [ 0.491761 0.11349 0.256985 ] [ 0.157715 0.559518 0.286986 ] [ 0.986623 0.284318 0.082601 ] [ 0.161404 0.463155 0.223296 ] [ 0.428945 0.235707 0.182815 ] [ 0.420177 0.566231 0.521337 ] [ 0.838596 0.536845 0.776704 ] [ 0.571055 0.764293 0.817185 ] [ 0.579823 0.433769 0.478663 ] [ 0.480108 0.290948 0.045583 ] [ 0.687629 0.669926 0.735311 ] [ 0.738108 0.970231 0.309931 ] [ 0.519892 0.709052 0.954417 ] [ 0.312371 0.330074 0.264689 ] [ 0.261892 0.029769 0.690069 ] [ 0.042775 0.461135 0.142286 ] [ 0.737554 0.048458 0.831858 ] [ 0.002184 0.254712 0.638467 ] [ 0.957225 0.538865 0.857714 ] [ 0.262446 0.951542 0.168142 ] [ 0.997816 0.745288 0.361533 ] [ 0.943506 0.173838 0.079869 ] [ 0.540654 0.276057 0.519991 ] [ 0.260515 0.506652 0.595011 ] [ 0.056494 0.826162 0.920131 ] [ 0.459346 0.723943 0.480009 ] [ 0.739486 0.493348 0.404989 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "C" "C" "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" 6.87310056 "source-unit" "angstrom" } "b" { "source-value" 8.10968101 "source-unit" "angstrom" } "c" { "source-value" 9.36169364 "source-unit" "angstrom" } "alpha" { "source-value" 72.45431154 "source-unit" "degree" } "beta" { "source-value" 81.35658587 "source-unit" "degree" } "gamma" { "source-value" 82.74231126 "source-unit" "degree" } }