{ "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" [ [ 0.75 0.75 0 ] [ 0.25 0.75 0 ] [ 0 0 0.5 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.759786 0.5 0.755258 ] [ 0.996133 0.267212 0.228458 ] [ 0.996133 0.732788 0.228458 ] [ 0.240214 0.5 0.244742 ] [ 0.749942 0 0.730781 ] [ 0.003867 0.732788 0.771542 ] [ 0.003867 0.267212 0.771542 ] [ 0.250058 0 0.269219 ] [ 0.259786 0 0.755258 ] [ 0.496133 0.767212 0.228458 ] [ 0.496133 0.232788 0.228458 ] [ 0.740214 0 0.244742 ] [ 0.249942 0.5 0.730781 ] [ 0.503867 0.232788 0.771542 ] [ 0.503867 0.767212 0.771542 ] [ 0.750058 0.5 0.269219 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Sb" "Sb" "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" 10.30942779 "source-unit" "angstrom" } "b" { "source-value" 6.1605539 "source-unit" "angstrom" } "c" { "source-value" 6.17841902 "source-unit" "angstrom" } "beta" { "source-value" 125.73658507 "source-unit" "degree" } }