{ "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" [ [ 0.255573 0.75 0.07801 ] [ 0.768033 0.950379 0.262188 ] [ 0.768033 0.549621 0.262188 ] [ 0.231967 0.450379 0.737812 ] [ 0.231967 0.049621 0.737812 ] [ 0.744427 0.25 0.92199 ] [ 0.237929 0.25 0.349277 ] [ 0.762071 0.75 0.650723 ] [ 0.287309 0.75 0.400338 ] [ 0.712691 0.25 0.599662 ] [ 0.284004 0.25 0.036535 ] [ 0.715996 0.75 0.963465 ] [ 0.038037 0.25 0.0781 ] [ 0.66835 0.75 0.106396 ] [ 0.490983 0.25 0.135044 ] [ 0.169402 0.92776 0.312218 ] [ 0.169402 0.57224 0.312218 ] [ 0.604569 0.75 0.398695 ] [ 0.776319 0.25 0.430533 ] [ 0.223681 0.75 0.569467 ] [ 0.395431 0.25 0.601305 ] [ 0.830598 0.42776 0.687782 ] [ 0.830598 0.07224 0.687782 ] [ 0.509017 0.75 0.864956 ] [ 0.33165 0.25 0.893604 ] [ 0.961963 0.75 0.9219 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ca" "Ca" "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" 4.92766941 "source-unit" "angstrom" } "b" { "source-value" 6.95336513 "source-unit" "angstrom" } "c" { "source-value" 8.92130834 "source-unit" "angstrom" } "beta" { "source-value" 94.09115658 "source-unit" "degree" } }