{ "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" [ [ 0.244122 0.497724 0.197003 ] [ 0.244122 0.002276 0.197003 ] [ 0.755878 0.502276 0.802997 ] [ 0.755878 0.997724 0.802997 ] [ 0.741265 0.75 0.087319 ] [ 0.258735 0.25 0.912681 ] [ 0.772628 0.75 0.355136 ] [ 0.227372 0.25 0.644864 ] [ 0.723187 0.25 0.395347 ] [ 0.276813 0.75 0.604653 ] [ 0.268671 0.25 0.049587 ] [ 0.959164 0.75 0.177035 ] [ 0.541918 0.75 0.181644 ] [ 0.85007 0.077321 0.334556 ] [ 0.85007 0.422679 0.334556 ] [ 0.244018 0.75 0.447697 ] [ 0.467059 0.25 0.353011 ] [ 0.532941 0.75 0.646989 ] [ 0.755982 0.25 0.552303 ] [ 0.14993 0.577321 0.665444 ] [ 0.14993 0.922679 0.665444 ] [ 0.458082 0.25 0.818356 ] [ 0.040836 0.25 0.822965 ] [ 0.731329 0.75 0.950413 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "B" "B" "Sb" "Sb" "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" 5.57077091 "source-unit" "angstrom" } "b" { "source-value" 6.9061648 "source-unit" "angstrom" } "c" { "source-value" 9.50845879 "source-unit" "angstrom" } "beta" { "source-value" 92.27868991 "source-unit" "degree" } }