{ "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 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.023608 0.75 0.292007 ] [ 0.976392 0.25 0.707993 ] [ 0.518533 0.25 0.220482 ] [ 0.481467 0.75 0.779518 ] [ 0.623823 0.75 0.097764 ] [ 0.069038 0.25 0.422764 ] [ 0.930962 0.75 0.577236 ] [ 0.376177 0.25 0.902236 ] [ 0.262182 0.25 0.035334 ] [ 0.309853 0.75 0.105785 ] [ 0.767517 0.941638 0.16207 ] [ 0.767517 0.558362 0.16207 ] [ 0.177063 0.447229 0.350661 ] [ 0.177063 0.052771 0.350661 ] [ 0.754909 0.25 0.435986 ] [ 0.777819 0.75 0.451266 ] [ 0.222181 0.25 0.548734 ] [ 0.245091 0.75 0.564014 ] [ 0.822937 0.947229 0.649339 ] [ 0.822937 0.552771 0.649339 ] [ 0.232483 0.441638 0.83793 ] [ 0.232483 0.058362 0.83793 ] [ 0.690147 0.25 0.894215 ] [ 0.737818 0.75 0.964666 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Sn" "Sn" "P" "P" "P" "P" "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" 4.85840095 "source-unit" "angstrom" } "b" { "source-value" 6.39242814 "source-unit" "angstrom" } "c" { "source-value" 10.99262536 "source-unit" "angstrom" } "beta" { "source-value" 90.52191342 "source-unit" "degree" } }