{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.574652 0.045678 0.720488 ] [ 0.929133 0.915529 0.049105 ] [ 0.207764 0.779168 0.459617 ] [ 0.782673 0.274424 0.036784 ] [ 0.39516 0.540339 0.768782 ] [ 0.084037 0.416983 0.450286 ] [ 0.929133 0.084471 0.549105 ] [ 0.574652 0.954322 0.220488 ] [ 0.207764 0.220832 0.959617 ] [ 0.782673 0.725576 0.536784 ] [ 0.084037 0.583017 0.950286 ] [ 0.39516 0.459661 0.268782 ] [ 0.287595 0.097127 0.361786 ] [ 0.710347 0.607867 0.145484 ] [ 0.287595 0.902873 0.861786 ] [ 0.710347 0.392133 0.645484 ] [ 0.782951 0.368195 0.829841 ] [ 0.449651 0.243472 0.518087 ] [ 0.491109 0.564015 0.559591 ] [ 0.98612 0.606628 0.126192 ] [ 0.984104 0.051621 0.34956 ] [ 0.522661 0.059955 0.930607 ] [ 0.211611 0.843487 0.678417 ] [ 0.782951 0.631805 0.329841 ] [ 0.449651 0.756528 0.018087 ] [ 0.491109 0.435985 0.059591 ] [ 0.98612 0.393372 0.626192 ] [ 0.984104 0.948379 0.84956 ] [ 0.522661 0.940045 0.430607 ] [ 0.211611 0.156513 0.178417 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "V" "V" "V" "V" "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" 6.01439429 "source-unit" "angstrom" } "b" { "source-value" 8.44637948 "source-unit" "angstrom" } "c" { "source-value" 10.64746294 "source-unit" "angstrom" } "beta" { "source-value" 122.41187975 "source-unit" "degree" } }