{ "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" [ [ 0.244766 0.486845 0.217006 ] [ 0.244766 0.013155 0.217006 ] [ 0.755234 0.513155 0.782994 ] [ 0.755234 0.986845 0.782994 ] [ 0.802391 0.75 0.374234 ] [ 0.197609 0.25 0.625766 ] [ 0.746041 0.25 0.39489 ] [ 0.253959 0.75 0.60511 ] [ 0.723877 0.75 0.089705 ] [ 0.276123 0.25 0.910295 ] [ 0.273683 0.25 0.041196 ] [ 0.938174 0.75 0.174279 ] [ 0.527236 0.75 0.159539 ] [ 0.876212 0.067068 0.335063 ] [ 0.876212 0.432932 0.335063 ] [ 0.190178 0.75 0.437572 ] [ 0.468262 0.25 0.359964 ] [ 0.531738 0.75 0.640036 ] [ 0.809822 0.25 0.562428 ] [ 0.123788 0.567068 0.664937 ] [ 0.123788 0.932932 0.664937 ] [ 0.472764 0.25 0.840461 ] [ 0.061826 0.25 0.825721 ] [ 0.726317 0.75 0.958804 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sb" "Sb" "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" 5.43931195 "source-unit" "angstrom" } "b" { "source-value" 6.79513102 "source-unit" "angstrom" } "c" { "source-value" 9.51084141 "source-unit" "angstrom" } "beta" { "source-value" 95.21248691 "source-unit" "degree" } }