{ "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" [ [ 0.762424 0.5 0.904091 ] [ 0.246146 0.272019 0.723782 ] [ 0.246146 0.727981 0.723782 ] [ 0.752329 0.771119 0.275889 ] [ 0.752329 0.228881 0.275889 ] [ 0.237596 0 0.096005 ] [ 0.208929 0.5 0.333306 ] [ 0.793279 0 0.66812 ] [ 0.71936 0.5 0.587157 ] [ 0.279771 0 0.414648 ] [ 0.704558 0 0.96149 ] [ 0.296311 0.5 0.036497 ] [ 0.952067 0 0.924911 ] [ 0.357537 0.5 0.889218 ] [ 0.514818 0 0.844999 ] [ 0.824838 0.312359 0.691831 ] [ 0.824838 0.687641 0.691831 ] [ 0.170646 0 0.581472 ] [ 0.404983 0.5 0.567129 ] [ 0.594029 0 0.437409 ] [ 0.824388 0.5 0.418931 ] [ 0.17629 0.187077 0.308696 ] [ 0.17629 0.812923 0.308696 ] [ 0.488386 0.5 0.152092 ] [ 0.642441 0 0.108819 ] [ 0.049271 0.5 0.073309 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Ni" "P" "P" "C" "C" "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" 4.98143683 "source-unit" "angstrom" } "b" { "source-value" 6.43172288 "source-unit" "angstrom" } "c" { "source-value" 8.38648292 "source-unit" "angstrom" } "beta" { "source-value" 94.69648826 "source-unit" "degree" } }