{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.999039 0.74424 0.505692 ] [ 0.01119 0.423767 0.503808 ] [ 0.01119 0.576233 0.003808 ] [ 0.999039 0.25576 0.005692 ] [ 0.499039 0.24424 0.505692 ] [ 0.51119 0.923767 0.503808 ] [ 0.51119 0.076233 0.003808 ] [ 0.499039 0.75576 0.005692 ] [ 0.009296 0.090403 0.510513 ] [ 0.009296 0.909597 0.010513 ] [ 0.509296 0.590403 0.510513 ] [ 0.509296 0.409597 0.010513 ] [ 0.76629 0.921538 0.259365 ] [ 0.76629 0.078462 0.759365 ] [ 0.76103 0.249669 0.257437 ] [ 0.254356 0.076556 0.265385 ] [ 0.76103 0.750331 0.757437 ] [ 0.254356 0.923444 0.765385 ] [ 0.26629 0.421538 0.259365 ] [ 0.26629 0.578462 0.759365 ] [ 0.26103 0.749669 0.257437 ] [ 0.754356 0.576556 0.265385 ] [ 0.26103 0.250331 0.757437 ] [ 0.754356 0.423444 0.765385 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Bi" "Bi" "Bi" "Bi" "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" 5.59024618 "source-unit" "angstrom" } "b" { "source-value" 9.54602278 "source-unit" "angstrom" } "c" { "source-value" 5.6654929 "source-unit" "angstrom" } "beta" { "source-value" 111.06789217 "source-unit" "degree" } }