{ "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" [ [ 0.762386 0.25 0.085541 ] [ 0.250552 0.007418 0.256314 ] [ 0.250552 0.492582 0.256314 ] [ 0.749448 0.507418 0.743686 ] [ 0.749448 0.992582 0.743686 ] [ 0.237614 0.75 0.914459 ] [ 0.705715 0.25 0.410169 ] [ 0.294285 0.75 0.589831 ] [ 0.777502 0.75 0.365707 ] [ 0.222498 0.25 0.634293 ] [ 0.733328 0.75 0.054664 ] [ 0.266672 0.25 0.945336 ] [ 0.281612 0.25 0.083475 ] [ 0.956809 0.75 0.119747 ] [ 0.524461 0.75 0.130157 ] [ 0.797942 0.062277 0.313963 ] [ 0.797942 0.437723 0.313963 ] [ 0.388437 0.25 0.41945 ] [ 0.178412 0.75 0.423504 ] [ 0.821588 0.25 0.576496 ] [ 0.611563 0.75 0.58055 ] [ 0.202058 0.562277 0.686037 ] [ 0.202058 0.937723 0.686037 ] [ 0.475539 0.25 0.869843 ] [ 0.043191 0.25 0.880253 ] [ 0.718388 0.75 0.916525 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Si" "Si" "Sn" "Sn" "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" 5.22338855 "source-unit" "angstrom" } "b" { "source-value" 6.9197584 "source-unit" "angstrom" } "c" { "source-value" 9.33967505 "source-unit" "angstrom" } "beta" { "source-value" 90.73451089 "source-unit" "degree" } }