{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.604034 0.25 ] [ 0.5 0.395966 0.75 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.734578 0.007977 0.469475 ] [ 0 0.762012 0.75 ] [ 0.265422 0.007977 0.030525 ] [ 0.734578 0.992023 0.969475 ] [ 0 0.237988 0.25 ] [ 0.265422 0.992023 0.530525 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.188994 0.818258 0.08735 ] [ 0.242951 0.305228 0.050528 ] [ 0.528727 0.935818 0.413508 ] [ 0.471273 0.935818 0.086492 ] [ 0.914506 0.596008 0.807402 ] [ 0.849312 0.967855 0.637138 ] [ 0.757049 0.305228 0.449472 ] [ 0.811006 0.818258 0.41265 ] [ 0.150688 0.967855 0.862862 ] [ 0.085494 0.596008 0.692598 ] [ 0.914506 0.403992 0.307402 ] [ 0.849312 0.032145 0.137138 ] [ 0.188994 0.181742 0.58735 ] [ 0.242951 0.694772 0.550528 ] [ 0.150688 0.032145 0.362862 ] [ 0.085494 0.403992 0.192598 ] [ 0.528727 0.064182 0.913508 ] [ 0.471273 0.064182 0.586492 ] [ 0.757049 0.694772 0.949472 ] [ 0.811006 0.181742 0.91265 ] ] } "species" { "source-value" [ "Li" "Li" "V" "V" "P" "P" "P" "P" "P" "P" "H" "H" "O" "O" "O" "O" "O" "O" "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" 8.69685809 "source-unit" "angstrom" } "b" { "source-value" 4.98739654 "source-unit" "angstrom" } "c" { "source-value" 11.82642383 "source-unit" "angstrom" } "beta" { "source-value" 126.16252576 "source-unit" "degree" } }