{ "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" [ [ 0.258532 0.259201 0.726905 ] [ 0.258532 0.740799 0.726905 ] [ 0.740807 0.757896 0.273905 ] [ 0.740807 0.242104 0.273905 ] [ 0.223934 0 0.084298 ] [ 0.76926 0.5 0.90487 ] [ 0.777703 0 0.657794 ] [ 0.220577 0.5 0.344044 ] [ 0.720384 0.5 0.588226 ] [ 0.278883 0 0.416504 ] [ 0.710899 0 0.940069 ] [ 0.291267 0.5 0.055392 ] [ 0.352168 0.5 0.913883 ] [ 0.939565 0 0.882652 ] [ 0.511567 0 0.843564 ] [ 0.792428 0.317485 0.691757 ] [ 0.792428 0.682515 0.691757 ] [ 0.138518 0 0.568966 ] [ 0.42258 0.5 0.549569 ] [ 0.578195 0 0.451968 ] [ 0.862594 0.5 0.435979 ] [ 0.205606 0.815015 0.316156 ] [ 0.205606 0.184985 0.316156 ] [ 0.474489 0.5 0.162885 ] [ 0.05094 0.5 0.096416 ] [ 0.68173 0 0.085474 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Li" "Ni" "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" 5.15387484 "source-unit" "angstrom" } "b" { "source-value" 6.70781828 "source-unit" "angstrom" } "c" { "source-value" 8.73191249 "source-unit" "angstrom" } "beta" { "source-value" 92.23298369 "source-unit" "degree" } }