{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.529803 0.249556 0.7704 ] [ 0.5 0.5 0.5 ] [ 0.470197 0.750444 0.2296 ] [ 0.011132 0.747461 0.719746 ] [ 0.988868 0.252539 0.280254 ] [ 0.586059 0.747699 0.897821 ] [ 0.062221 0.245781 0.590235 ] [ 0.937779 0.754219 0.409765 ] [ 0.413941 0.252301 0.102179 ] [ 0.343743 0.244214 0.955756 ] [ 0.262637 0.756775 0.877292 ] [ 0.748365 0.952908 0.824803 ] [ 0.740246 0.547721 0.816655 ] [ 0.197299 0.031619 0.664101 ] [ 0.210272 0.459057 0.659897 ] [ 0.74721 0.261013 0.593046 ] [ 0.805074 0.750973 0.555634 ] [ 0.194926 0.249027 0.444366 ] [ 0.25279 0.738987 0.406954 ] [ 0.802701 0.968381 0.335899 ] [ 0.789728 0.540943 0.340103 ] [ 0.259754 0.452279 0.183345 ] [ 0.251635 0.047092 0.175197 ] [ 0.737363 0.243225 0.122708 ] [ 0.656257 0.755786 0.044244 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "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" 4.74792191 "source-unit" "angstrom" } "b" { "source-value" 5.78051317 "source-unit" "angstrom" } "c" { "source-value" 10.00906155 "source-unit" "angstrom" } "alpha" { "source-value" 89.92654598 "source-unit" "degree" } "beta" { "source-value" 89.50766818 "source-unit" "degree" } "gamma" { "source-value" 88.53141012 "source-unit" "degree" } }