{ "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/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.071565 ] [ 0.666667 0.333333 0.571565 ] [ 0.666667 0.333333 0.928435 ] [ 0.333333 0.666667 0.428435 ] [ 0.333333 0.666667 0.824307 ] [ 0.666667 0.333333 0.324307 ] [ 0.666667 0.333333 0.175693 ] [ 0.333333 0.666667 0.675693 ] [ 0.512802 0.025603 0.25 ] [ 0.487198 0.512802 0.75 ] [ 0.025603 0.512802 0.75 ] [ 0.974397 0.487198 0.25 ] [ 0.512802 0.487198 0.25 ] [ 0.487198 0.974397 0.75 ] [ 0.814699 0.629398 0.099308 ] [ 0.185301 0.814699 0.599308 ] [ 0.629398 0.814699 0.599308 ] [ 0.370602 0.185301 0.099308 ] [ 0.814699 0.185301 0.099308 ] [ 0.185301 0.370602 0.900692 ] [ 0.185301 0.814699 0.900692 ] [ 0.185301 0.370602 0.599308 ] [ 0.629398 0.814699 0.900692 ] [ 0.370602 0.185301 0.400692 ] [ 0.814699 0.629398 0.400692 ] [ 0.814699 0.185301 0.400692 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Ru" "Ru" "Ru" "Ru" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 7.50720331978 "source-unit" "angstrom" } "c" { "source-value" 17.98105383 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.91689363 "source-unit" "eV" } }