{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.751564 0.51829 0.502234 ] [ 0.748436 0.01829 0.997766 ] [ 0.248436 0.48171 0.497766 ] [ 0.251564 0.98171 0.002234 ] [ 0.873896 0.987589 0.624498 ] [ 0.626104 0.487589 0.875502 ] [ 0.126104 0.012411 0.375502 ] [ 0.373896 0.512411 0.124498 ] [ 0.427995 0.791809 0.686366 ] [ 0.072005 0.291809 0.813634 ] [ 0.572005 0.208191 0.313634 ] [ 0.927995 0.708191 0.186366 ] [ 0.038624 0.67982 0.82369 ] [ 0.461376 0.17982 0.67631 ] [ 0.961376 0.32018 0.17631 ] [ 0.538624 0.82018 0.32369 ] [ 0.215365 0.561897 0.78053 ] [ 0.284635 0.061897 0.71947 ] [ 0.784635 0.438103 0.21947 ] [ 0.715365 0.938103 0.28053 ] [ 0.859787 0.795494 0.866206 ] [ 0.640213 0.295494 0.633794 ] [ 0.140213 0.204506 0.133794 ] [ 0.359787 0.704506 0.366206 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "B" "B" "B" "B" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.14872012915 "source-unit" "angstrom" } "b" { "source-value" 7.09604283 "source-unit" "angstrom" } "c" { "source-value" 6.75060383791 "source-unit" "angstrom" } "beta" { "source-value" 111.950132379 "source-unit" "degree" } }