{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.064585 0 0.409199 ] [ 0.108514 0.5 0.773515 ] [ 0.891486 0.5 0.226485 ] [ 0.935415 0 0.590801 ] [ 0.564585 0.5 0.409199 ] [ 0.608514 0 0.773515 ] [ 0.391486 0 0.226485 ] [ 0.435415 0.5 0.590801 ] [ 0.806488 0.5 0.737923 ] [ 0.193512 0.5 0.262077 ] [ 0.306488 0 0.737923 ] [ 0.693512 0 0.262077 ] [ 0.792874 0 0.637946 ] [ 0.05106 0.5 0.339506 ] [ 0.852489 0.5 0.99331 ] [ 0.118421 0 0.6654 ] [ 0.881579 0 0.3346 ] [ 0.147511 0.5 0.00669 ] [ 0.94894 0.5 0.660494 ] [ 0.207126 0 0.362054 ] [ 0.292874 0.5 0.637946 ] [ 0.55106 0 0.339506 ] [ 0.352489 0 0.99331 ] [ 0.618421 0.5 0.6654 ] [ 0.381579 0.5 0.3346 ] [ 0.647511 0 0.00669 ] [ 0.44894 0 0.660494 ] [ 0.707126 0.5 0.362054 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.80611782 "source-unit" "angstrom" } "b" { "source-value" 3.85372613 "source-unit" "angstrom" } "c" { "source-value" 8.28658645 "source-unit" "angstrom" } "beta" { "source-value" 113.32519831 "source-unit" "degree" } }