{ "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" [ [ 0.83037 0 0.663076 ] [ 0 0.5 0 ] [ 0.66963 0.5 0.336924 ] [ 0.33037 0.5 0.663076 ] [ 0.5 0 0 ] [ 0.16963 0 0.336924 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.832482 0 0.164693 ] [ 0.667518 0.5 0.835307 ] [ 0.332482 0.5 0.164693 ] [ 0.167518 0 0.835307 ] [ 0.838736 0.5 0.39672 ] [ 0.008363 0 0.737008 ] [ 0.674665 0 0.066595 ] [ 0.991637 0 0.262992 ] [ 0.661264 0 0.60328 ] [ 0.825335 0.5 0.933405 ] [ 0.338736 0 0.39672 ] [ 0.508363 0.5 0.737008 ] [ 0.174665 0.5 0.066595 ] [ 0.491637 0.5 0.262992 ] [ 0.161264 0.5 0.60328 ] [ 0.325335 0 0.933405 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Co" "Co" "Co" "Co" "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" 12.59306003 "source-unit" "angstrom" } "b" { "source-value" 2.84255389 "source-unit" "angstrom" } "c" { "source-value" 5.75609967 "source-unit" "angstrom" } "beta" { "source-value" 104.03285035 "source-unit" "degree" } }