{ "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" [ [ 0.236241 0.75 0.078221 ] [ 0.748698 0.99649 0.253486 ] [ 0.748698 0.50351 0.253486 ] [ 0.251302 0.49649 0.746514 ] [ 0.251302 0.00351 0.746514 ] [ 0.763759 0.25 0.921779 ] [ 0.214298 0.25 0.329404 ] [ 0.785702 0.75 0.670596 ] [ 0.27247 0.25 0.065313 ] [ 0.72753 0.75 0.934687 ] [ 0.286018 0.75 0.420563 ] [ 0.713982 0.25 0.579437 ] [ 0.701644 0.75 0.082757 ] [ 0.037212 0.25 0.136628 ] [ 0.47128 0.25 0.174478 ] [ 0.21954 0.942101 0.306636 ] [ 0.21954 0.557899 0.306636 ] [ 0.612602 0.75 0.468859 ] [ 0.872917 0.25 0.413771 ] [ 0.127083 0.75 0.586229 ] [ 0.387398 0.25 0.531141 ] [ 0.78046 0.442101 0.693364 ] [ 0.78046 0.057899 0.693364 ] [ 0.52872 0.75 0.825522 ] [ 0.962788 0.75 0.863372 ] [ 0.298356 0.25 0.917243 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "B" "B" "As" "As" "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" 5.21576208 "source-unit" "angstrom" } "b" { "source-value" 7.03442398 "source-unit" "angstrom" } "c" { "source-value" 8.95684473 "source-unit" "angstrom" } "beta" { "source-value" 91.83113379 "source-unit" "degree" } }