{ "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" [ [ 0.594821 0.909651 0.75 ] [ 0.405179 0.090349 0.25 ] [ 0.090349 0.68517 0.75 ] [ 0.31483 0.405179 0.75 ] [ 0.68517 0.594821 0.25 ] [ 0.909651 0.31483 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.188418 0.247668 0.25 ] [ 0.94075 0.188418 0.75 ] [ 0.247668 0.05925 0.75 ] [ 0.05925 0.811582 0.25 ] [ 0.752332 0.94075 0.25 ] [ 0.811582 0.752332 0.75 ] [ 0.634506 0.150773 0.505675 ] [ 0.150773 0.516267 0.005675 ] [ 0.516267 0.365494 0.994325 ] [ 0.849227 0.483733 0.994325 ] [ 0.365494 0.849227 0.005675 ] [ 0.483733 0.634506 0.494325 ] [ 0.365494 0.849227 0.494325 ] [ 0.483733 0.634506 0.005675 ] [ 0.849227 0.483733 0.505675 ] [ 0.150773 0.516267 0.494325 ] [ 0.516267 0.365494 0.505675 ] [ 0.634506 0.150773 0.994325 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "U" "U" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 9.46060995083 "source-unit" "angstrom" } "c" { "source-value" 5.58107015 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.719530997692307 "source-unit" "eV" } }