{ "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" [ [ 0.764977 0.004433 0.216386 ] [ 0.764977 0.495567 0.216386 ] [ 0.235023 0.504433 0.783614 ] [ 0.235023 0.995567 0.783614 ] [ 0.221312 0.25 0.354805 ] [ 0.778688 0.75 0.645195 ] [ 0.274668 0.25 0.077435 ] [ 0.725332 0.75 0.922565 ] [ 0.282695 0.75 0.418434 ] [ 0.717305 0.25 0.581566 ] [ 0.69942 0.75 0.059846 ] [ 0.054559 0.25 0.140862 ] [ 0.466852 0.25 0.171204 ] [ 0.199611 0.927367 0.335582 ] [ 0.199611 0.572633 0.335582 ] [ 0.829291 0.25 0.431614 ] [ 0.563298 0.75 0.43527 ] [ 0.436702 0.25 0.56473 ] [ 0.170709 0.75 0.568386 ] [ 0.800389 0.427367 0.664418 ] [ 0.800389 0.072633 0.664418 ] [ 0.533148 0.75 0.828796 ] [ 0.945441 0.75 0.859138 ] [ 0.30058 0.25 0.940154 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "V" "V" "C" "C" "S" "S" "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" 5.34554339 "source-unit" "angstrom" } "b" { "source-value" 6.77182619 "source-unit" "angstrom" } "c" { "source-value" 9.11351778 "source-unit" "angstrom" } "beta" { "source-value" 90.97003531 "source-unit" "degree" } }