{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0.370379 0.031753 0.624235 ] [ 0.389887 0.03775 0.126931 ] [ 0.661374 0.629621 0.624235 ] [ 0.647864 0.610113 0.126931 ] [ 0.031753 0.661374 0.375765 ] [ 0.03775 0.647864 0.873069 ] [ 0.96225 0.352136 0.126931 ] [ 0.968247 0.338626 0.624235 ] [ 0.352136 0.389887 0.873069 ] [ 0.338626 0.370379 0.375765 ] [ 0.610113 0.96225 0.873069 ] [ 0.629621 0.968247 0.375765 ] [ 0.666667 0.333333 0.815769 ] [ 0.666667 0.333333 0.435423 ] [ 0.333333 0.666667 0.184231 ] [ 0.333333 0.666667 0.564577 ] [ 0.689644 0.519847 0.378584 ] [ 0.699227 0.52428 0.872759 ] [ 0.47572 0.174947 0.872759 ] [ 0.480153 0.169797 0.378584 ] [ 0.666667 0.333333 0.626641 ] [ 0.830203 0.310356 0.378584 ] [ 0.825053 0.300773 0.872759 ] [ 0.174947 0.699227 0.127241 ] [ 0.169797 0.689644 0.621416 ] [ 0.333333 0.666667 0.373359 ] [ 0.519847 0.830203 0.621416 ] [ 0.52428 0.825053 0.127241 ] [ 0.300773 0.47572 0.127241 ] [ 0.310356 0.480153 0.621416 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 9.681409 "source-unit" "angstrom" } "c" { "source-value" 10.01862695 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.573753700666667 "source-unit" "eV" } }