{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.286468 0.75 ] [ 0 0.713532 0.25 ] [ 0.5 0.786468 0.75 ] [ 0.5 0.213532 0.25 ] [ 0 0.912041 0.75 ] [ 0 0.087959 0.25 ] [ 0.5 0.412041 0.75 ] [ 0.5 0.587959 0.25 ] [ 0.711948 0.908004 0.255661 ] [ 0.288052 0.908004 0.244339 ] [ 0.711948 0.091996 0.755661 ] [ 0.288052 0.091996 0.744339 ] [ 0.211948 0.408004 0.255661 ] [ 0.788052 0.408004 0.244339 ] [ 0.211948 0.591996 0.755661 ] [ 0.788052 0.591996 0.744339 ] [ 0.11582 0.094465 0.6442 ] [ 0.354955 0.999096 0.534829 ] [ 0.147732 0.759657 0.703103 ] [ 0.88418 0.094465 0.8558 ] [ 0.852268 0.759657 0.796897 ] [ 0.354955 0.000904 0.034829 ] [ 0.88418 0.905535 0.3558 ] [ 0.645045 0.000904 0.465171 ] [ 0.852268 0.240343 0.296897 ] [ 0.11582 0.905535 0.1442 ] [ 0.147732 0.240343 0.203103 ] [ 0.645045 0.999096 0.965171 ] [ 0.61582 0.594465 0.6442 ] [ 0.854955 0.499096 0.534829 ] [ 0.647732 0.259657 0.703103 ] [ 0.38418 0.594465 0.8558 ] [ 0.352268 0.259657 0.796897 ] [ 0.854955 0.500904 0.034829 ] [ 0.38418 0.405535 0.3558 ] [ 0.145045 0.500904 0.465171 ] [ 0.352268 0.740343 0.296897 ] [ 0.61582 0.405535 0.1442 ] [ 0.647732 0.740343 0.203103 ] [ 0.145045 0.499096 0.965171 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "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" 10.4004716708 "source-unit" "angstrom" } "b" { "source-value" 9.23841635811 "source-unit" "angstrom" } "c" { "source-value" 5.91184592056 "source-unit" "angstrom" } "beta" { "source-value" 109.84090559 "source-unit" "degree" } }