{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Pm3" } "basis-atom-coordinates" { "source-value" [ [ 0.327709 0.202787 0 ] [ 0 0.327709 0.202787 ] [ 0.202787 0 0.327709 ] [ 0.797213 0 0.327709 ] [ 0 0.672291 0.797213 ] [ 0.797213 0 0.672291 ] [ 0 0.672291 0.202787 ] [ 0 0.327709 0.797213 ] [ 0.202787 0 0.672291 ] [ 0.327709 0.797213 0 ] [ 0.672291 0.202787 0 ] [ 0.672291 0.797213 0 ] [ 0.175124 0.296991 0.5 ] [ 0.5 0.175124 0.296991 ] [ 0.296991 0.5 0.175124 ] [ 0.703009 0.5 0.175124 ] [ 0.5 0.824876 0.703009 ] [ 0.703009 0.5 0.824876 ] [ 0.5 0.824876 0.296991 ] [ 0.5 0.175124 0.703009 ] [ 0.296991 0.5 0.824876 ] [ 0.175124 0.703009 0.5 ] [ 0.824876 0.296991 0.5 ] [ 0.824876 0.703009 0.5 ] [ 0.362522 0 0 ] [ 0 0.362522 0 ] [ 0 0 0.362522 ] [ 0 0.637478 0 ] [ 0 0 0.637478 ] [ 0.637478 0 0 ] [ 0.118546 0.5 0.5 ] [ 0.5 0.118546 0.5 ] [ 0.5 0.5 0.118546 ] [ 0.5 0.881454 0.5 ] [ 0.5 0.5 0.881454 ] [ 0.881454 0.5 0.5 ] [ 0.30118 0 0.5 ] [ 0.5 0.30118 0 ] [ 0 0.5 0.30118 ] [ 0.5 0.69882 0 ] [ 0 0.5 0.69882 ] [ 0.69882 0 0.5 ] [ 0.168763 0.105027 0 ] [ 0 0.168763 0.105027 ] [ 0.105027 0 0.168763 ] [ 0.894973 0 0.168763 ] [ 0 0.831237 0.894973 ] [ 0.894973 0 0.831237 ] [ 0 0.831237 0.105027 ] [ 0 0.168763 0.894973 ] [ 0.105027 0 0.831237 ] [ 0.168763 0.894973 0 ] [ 0.831237 0.105027 0 ] [ 0.831237 0.894973 0 ] [ 0.329076 0.39569 0.5 ] [ 0.5 0.329076 0.39569 ] [ 0.39569 0.5 0.329076 ] [ 0.60431 0.5 0.329076 ] [ 0.5 0.670924 0.60431 ] [ 0.60431 0.5 0.670924 ] [ 0.5 0.670924 0.39569 ] [ 0.5 0.329076 0.60431 ] [ 0.39569 0.5 0.670924 ] [ 0.329076 0.60431 0.5 ] [ 0.670924 0.39569 0.5 ] [ 0.670924 0.60431 0.5 ] [ 0.32163 0.403185 0 ] [ 0 0.32163 0.403185 ] [ 0.403185 0 0.32163 ] [ 0.596815 0 0.32163 ] [ 0 0.67837 0.596815 ] [ 0.596815 0 0.67837 ] [ 0 0.67837 0.403185 ] [ 0 0.32163 0.596815 ] [ 0.403185 0 0.67837 ] [ 0.32163 0.596815 0 ] [ 0.67837 0.403185 0 ] [ 0.67837 0.596815 0 ] [ 0.126206 0.110119 0.5 ] [ 0.5 0.126206 0.110119 ] [ 0.110119 0.5 0.126206 ] [ 0.889881 0.5 0.126206 ] [ 0.5 0.873794 0.889881 ] [ 0.889881 0.5 0.873794 ] [ 0.5 0.873794 0.110119 ] [ 0.5 0.126206 0.889881 ] [ 0.110119 0.5 0.873794 ] [ 0.126206 0.889881 0.5 ] [ 0.873794 0.110119 0.5 ] [ 0.873794 0.889881 0.5 ] [ 0.118838 0.185841 0.30039 ] [ 0.30039 0.118838 0.185841 ] [ 0.185841 0.30039 0.118838 ] [ 0.814159 0.69961 0.118838 ] [ 0.30039 0.881162 0.814159 ] [ 0.814159 0.30039 0.881162 ] [ 0.69961 0.881162 0.185841 ] [ 0.69961 0.118838 0.814159 ] [ 0.185841 0.69961 0.881162 ] [ 0.118838 0.814159 0.69961 ] [ 0.881162 0.185841 0.69961 ] [ 0.881162 0.814159 0.30039 ] [ 0.881162 0.814159 0.69961 ] [ 0.69961 0.881162 0.814159 ] [ 0.814159 0.69961 0.881162 ] [ 0.185841 0.30039 0.881162 ] [ 0.69961 0.118838 0.185841 ] [ 0.185841 0.69961 0.118838 ] [ 0.30039 0.118838 0.814159 ] [ 0.30039 0.881162 0.185841 ] [ 0.814159 0.30039 0.118838 ] [ 0.881162 0.185841 0.30039 ] [ 0.118838 0.814159 0.30039 ] [ 0.118838 0.185841 0.69961 ] [ 0.388148 0.315004 0.194276 ] [ 0.194276 0.388148 0.315004 ] [ 0.315004 0.194276 0.388148 ] [ 0.684996 0.805724 0.388148 ] [ 0.194276 0.611852 0.684996 ] [ 0.684996 0.194276 0.611852 ] [ 0.805724 0.611852 0.315004 ] [ 0.805724 0.388148 0.684996 ] [ 0.315004 0.805724 0.611852 ] [ 0.388148 0.684996 0.805724 ] [ 0.611852 0.315004 0.805724 ] [ 0.611852 0.684996 0.194276 ] [ 0.611852 0.684996 0.805724 ] [ 0.805724 0.611852 0.684996 ] [ 0.684996 0.805724 0.611852 ] [ 0.315004 0.194276 0.611852 ] [ 0.805724 0.388148 0.315004 ] [ 0.315004 0.805724 0.388148 ] [ 0.194276 0.388148 0.684996 ] [ 0.194276 0.611852 0.315004 ] [ 0.684996 0.194276 0.388148 ] [ 0.611852 0.315004 0.194276 ] [ 0.388148 0.684996 0.194276 ] [ 0.388148 0.315004 0.805724 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" 12.71267601 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.873593349202899 "source-unit" "eV" } }