{ "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" [ [ 0.159347 0 0.295206 ] [ 0.5 0 0.5 ] [ 0.340653 0.5 0.704794 ] [ 0.659347 0.5 0.295206 ] [ 0 0.5 0.5 ] [ 0.840653 0 0.704794 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.143667 0 0.755202 ] [ 0.356333 0.5 0.244798 ] [ 0.643667 0.5 0.755202 ] [ 0.856333 0 0.244798 ] [ 0.236177 0.5 0.413008 ] [ 0.277114 0.5 0.018429 ] [ 0.532177 0.283002 0.733356 ] [ 0.032177 0.216998 0.733356 ] [ 0.467823 0.283002 0.266644 ] [ 0.967823 0.216998 0.266644 ] [ 0.222886 0 0.981571 ] [ 0.263823 0 0.586992 ] [ 0.736177 0 0.413008 ] [ 0.777114 0 0.018429 ] [ 0.032177 0.783002 0.733356 ] [ 0.532177 0.716998 0.733356 ] [ 0.967823 0.783002 0.266644 ] [ 0.467823 0.716998 0.266644 ] [ 0.722886 0.5 0.981571 ] [ 0.763823 0.5 0.586992 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Bi" "Bi" "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" 8.68890452 "source-unit" "angstrom" } "b" { "source-value" 5.74160642 "source-unit" "angstrom" } "c" { "source-value" 6.3810387 "source-unit" "angstrom" } "beta" { "source-value" 92.158946 "source-unit" "degree" } }