{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.308894 0.76935 0.75 ] [ 0.460456 0.691106 0.75 ] [ 0.009502 0.608289 0.25 ] [ 0.539544 0.308894 0.25 ] [ 0.691106 0.23065 0.25 ] [ 0.391711 0.401213 0.25 ] [ 0.608289 0.598787 0.75 ] [ 0.856678 0.760691 0.75 ] [ 0.904013 0.143322 0.75 ] [ 0.76935 0.460456 0.25 ] [ 0.095987 0.856678 0.25 ] [ 0.23065 0.539544 0.75 ] [ 0.143322 0.239309 0.25 ] [ 0.760691 0.904013 0.25 ] [ 0.401213 0.009502 0.75 ] [ 0.990498 0.391711 0.75 ] [ 0.239309 0.095987 0.75 ] [ 0.598787 0.990498 0.25 ] [ 0.280721 0.001675 0.25 ] [ 0.507535 0.404982 0.75 ] [ 0.427417 0.179704 0.75 ] [ 0.752287 0.572583 0.75 ] [ 0.127581 0.354099 0.75 ] [ 0.773481 0.127581 0.25 ] [ 0.572583 0.820296 0.25 ] [ 0.492004 0.86296 0.75 ] [ 0.998325 0.279046 0.25 ] [ 0.719279 0.998325 0.75 ] [ 0.86296 0.370956 0.25 ] [ 0.102552 0.507535 0.25 ] [ 0.370956 0.507996 0.75 ] [ 0.279046 0.280721 0.75 ] [ 0.820296 0.247713 0.75 ] [ 0.492465 0.595018 0.25 ] [ 0.001675 0.720954 0.75 ] [ 0.247713 0.427417 0.25 ] [ 0.720954 0.719279 0.25 ] [ 0.226519 0.872419 0.75 ] [ 0.629044 0.492004 0.25 ] [ 0.404982 0.897448 0.25 ] [ 0.595018 0.102552 0.75 ] [ 0.872419 0.645901 0.25 ] [ 0.354099 0.226519 0.25 ] [ 0.179704 0.752287 0.25 ] [ 0.645901 0.773481 0.75 ] [ 0.507996 0.13704 0.25 ] [ 0.897448 0.492465 0.75 ] [ 0.13704 0.629044 0.75 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.148896 0.099702 0.25 ] [ 0.950805 0.851104 0.25 ] [ 0.049195 0.148896 0.75 ] [ 0.099702 0.950805 0.75 ] [ 0.851104 0.900298 0.75 ] [ 0.900298 0.049195 0.25 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 20.7537878922 "source-unit" "angstrom" } "c" { "source-value" 4.31765493 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.449612688214286 "source-unit" "eV" } }