{ "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" [ [ 0.233208 0.48978 0.213236 ] [ 0.233208 0.01022 0.213236 ] [ 0.766792 0.51022 0.786764 ] [ 0.766792 0.98978 0.786764 ] [ 0.776036 0.75 0.380587 ] [ 0.223964 0.25 0.619413 ] [ 0.723407 0.25 0.402585 ] [ 0.276593 0.75 0.597415 ] [ 0.729011 0.75 0.08539 ] [ 0.270989 0.25 0.91461 ] [ 0.284876 0.25 0.047369 ] [ 0.948214 0.75 0.157877 ] [ 0.528273 0.75 0.165964 ] [ 0.85623 0.072188 0.339413 ] [ 0.85623 0.427812 0.339413 ] [ 0.23287 0.75 0.430186 ] [ 0.43641 0.25 0.369941 ] [ 0.56359 0.75 0.630059 ] [ 0.76713 0.25 0.569814 ] [ 0.14377 0.572188 0.660587 ] [ 0.14377 0.927812 0.660587 ] [ 0.471727 0.25 0.834036 ] [ 0.051786 0.25 0.842123 ] [ 0.715124 0.75 0.952631 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Bi" "Bi" "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" 5.30161853 "source-unit" "angstrom" } "b" { "source-value" 6.99734826 "source-unit" "angstrom" } "c" { "source-value" 9.4203395 "source-unit" "angstrom" } "beta" { "source-value" 91.85852769 "source-unit" "degree" } }