{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.235042 0.75 0.086318 ] [ 0.746691 0.99014 0.26674 ] [ 0.746691 0.50986 0.26674 ] [ 0.253309 0.49014 0.73326 ] [ 0.253309 0.00986 0.73326 ] [ 0.764958 0.25 0.913682 ] [ 0.20334 0.25 0.348128 ] [ 0.79666 0.75 0.651872 ] [ 0.299905 0.75 0.417987 ] [ 0.700095 0.25 0.582013 ] [ 0.270946 0.25 0.062127 ] [ 0.729054 0.75 0.937873 ] [ 0.712694 0.75 0.079639 ] [ 0.047717 0.25 0.124298 ] [ 0.474624 0.25 0.147448 ] [ 0.224079 0.948742 0.314996 ] [ 0.224079 0.551258 0.314996 ] [ 0.609454 0.75 0.451026 ] [ 0.857138 0.25 0.426075 ] [ 0.142862 0.75 0.573925 ] [ 0.390546 0.25 0.548974 ] [ 0.775921 0.448742 0.685004 ] [ 0.775921 0.051258 0.685004 ] [ 0.525376 0.75 0.852552 ] [ 0.952283 0.75 0.875702 ] [ 0.287306 0.25 0.920361 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "V" "V" "Si" "Si" "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" 5.22799268 "source-unit" "angstrom" } "b" { "source-value" 6.6246292 "source-unit" "angstrom" } "c" { "source-value" 9.08078455 "source-unit" "angstrom" } "beta" { "source-value" 90.96451412 "source-unit" "degree" } }