{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.916793 ] [ 0.333333 0.666667 0.58332 ] [ 0 0 0.749987 ] [ 0 0 0.249893 ] [ 0.666667 0.333333 0.416663 ] [ 0 0 0.000445 ] [ 0.666667 0.333333 0.666658 ] [ 0.333333 0.666667 0.332888 ] [ 0.181495 0.590748 0.102314 ] [ 0.333333 0.666667 0.026331 ] [ 0.409252 0.590748 0.102314 ] [ 0.409252 0.818505 0.102314 ] [ 0.333333 0.666667 0.083416 ] [ 0.992813 0.496406 0.748197 ] [ 0.163039 0.326078 0.918548 ] [ 0.163039 0.836961 0.918548 ] [ 0.503594 0.496406 0.748197 ] [ 0.659128 0.829564 0.414698 ] [ 0.829744 0.659488 0.585126 ] [ 0.503594 0.007187 0.748197 ] [ 0.673922 0.836961 0.918548 ] [ 0.170436 0.829564 0.414698 ] [ 0.829744 0.170256 0.585126 ] [ 0.327111 0.163555 0.081865 ] [ 0.496741 0.993482 0.251564 ] [ 0.170436 0.340872 0.414698 ] [ 0.340512 0.170256 0.585126 ] [ 0.836445 0.163555 0.081865 ] [ 0.496741 0.503259 0.251564 ] [ 0.836445 0.672889 0.081865 ] [ 0.006518 0.503259 0.251564 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Te" "Te" "Te" "H" "H" "H" "H" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 7.41572967 "source-unit" "angstrom" } "c" { "source-value" 18.16612605 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.3341301558064513 "source-unit" "eV" } }