{ "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" [ [ 0.232452 0.497662 0.220925 ] [ 0.232452 0.002338 0.220925 ] [ 0.767548 0.502338 0.779075 ] [ 0.767548 0.997662 0.779075 ] [ 0.773477 0.75 0.35956 ] [ 0.226523 0.25 0.64044 ] [ 0.712537 0.25 0.421428 ] [ 0.287463 0.75 0.578572 ] [ 0.73099 0.75 0.069733 ] [ 0.26901 0.25 0.930267 ] [ 0.297253 0.25 0.066701 ] [ 0.953364 0.75 0.135608 ] [ 0.533224 0.75 0.160169 ] [ 0.801847 0.067104 0.336855 ] [ 0.801847 0.432896 0.336855 ] [ 0.179002 0.75 0.418715 ] [ 0.41399 0.25 0.432338 ] [ 0.58601 0.75 0.567662 ] [ 0.820998 0.25 0.581285 ] [ 0.198153 0.567104 0.663145 ] [ 0.198153 0.932896 0.663145 ] [ 0.466776 0.25 0.839831 ] [ 0.046636 0.25 0.864392 ] [ 0.702747 0.75 0.933299 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "In" "In" "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" 5.27396637 "source-unit" "angstrom" } "b" { "source-value" 6.82775288 "source-unit" "angstrom" } "c" { "source-value" 9.13950751 "source-unit" "angstrom" } "beta" { "source-value" 90.43282415 "source-unit" "degree" } }