{ "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" [ [ 0.764687 0.506421 0.235045 ] [ 0.764687 0.993579 0.235045 ] [ 0.235313 0.493579 0.764955 ] [ 0.235313 0.006421 0.764955 ] [ 0.217295 0.25 0.349147 ] [ 0.782705 0.75 0.650853 ] [ 0.288363 0.75 0.424138 ] [ 0.711637 0.25 0.575862 ] [ 0.272685 0.25 0.0763 ] [ 0.727315 0.75 0.9237 ] [ 0.70281 0.75 0.061889 ] [ 0.049607 0.25 0.143661 ] [ 0.467173 0.25 0.172835 ] [ 0.210038 0.940618 0.332201 ] [ 0.210038 0.559382 0.332201 ] [ 0.848403 0.25 0.422808 ] [ 0.58588 0.75 0.452426 ] [ 0.41412 0.25 0.547574 ] [ 0.151597 0.75 0.577192 ] [ 0.789962 0.440618 0.667799 ] [ 0.789962 0.059382 0.667799 ] [ 0.532827 0.75 0.827165 ] [ 0.950393 0.75 0.856339 ] [ 0.29719 0.25 0.938111 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cr" "Cr" "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" 5.21149774 "source-unit" "angstrom" } "b" { "source-value" 6.53939033 "source-unit" "angstrom" } "c" { "source-value" 8.97013336 "source-unit" "angstrom" } "beta" { "source-value" 90.76127565 "source-unit" "degree" } }