{ "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" [ [ 0.772785 0.25 0.918941 ] [ 0.227215 0.75 0.081059 ] [ 0.779435 0.75 0.66345 ] [ 0.220565 0.25 0.33655 ] [ 0.740023 0.25 0.563356 ] [ 0.259977 0.75 0.436644 ] [ 0.696679 0.75 0.944489 ] [ 0.303321 0.25 0.055511 ] [ 0.346482 0.25 0.914371 ] [ 0.919723 0.75 0.888596 ] [ 0.529167 0.75 0.826451 ] [ 0.784103 0.059918 0.671256 ] [ 0.784103 0.440082 0.671256 ] [ 0.085778 0.75 0.573802 ] [ 0.473505 0.25 0.493684 ] [ 0.526495 0.75 0.506316 ] [ 0.914222 0.25 0.426198 ] [ 0.215897 0.559918 0.328744 ] [ 0.215897 0.940082 0.328744 ] [ 0.470833 0.25 0.173549 ] [ 0.080277 0.25 0.111404 ] [ 0.653518 0.75 0.085629 ] ] } "species" { "source-value" [ "Na" "Na" "V" "V" "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" 5.48482576 "source-unit" "angstrom" } "b" { "source-value" 6.4358954 "source-unit" "angstrom" } "c" { "source-value" 8.52385563 "source-unit" "angstrom" } "beta" { "source-value" 92.91992832 "source-unit" "degree" } }