{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3cm" } "basis-atom-coordinates" { "source-value" [ [ 0.67466 0 0.752076 ] [ 0.67466 0.67466 0.252076 ] [ 0 0.32534 0.252076 ] [ 0 0.67466 0.752076 ] [ 0.32534 0.32534 0.752076 ] [ 0.32534 0 0.252076 ] [ 0.618471 0 0.423568 ] [ 0.618471 0.618471 0.923568 ] [ 0 0.381529 0.923568 ] [ 0 0.618471 0.423568 ] [ 0.381529 0.381529 0.423568 ] [ 0.381529 0 0.923568 ] [ 0 0 0.324271 ] [ 0 0 0.824271 ] [ 0.333333 0.666667 0.209016 ] [ 0.666667 0.333333 0.709016 ] [ 0.333333 0.666667 0.709016 ] [ 0.666667 0.333333 0.209016 ] [ 0.274698 0 0.583589 ] [ 0.274698 0.274698 0.083589 ] [ 0 0.725302 0.083589 ] [ 0 0.274698 0.583589 ] [ 0.725302 0.725302 0.583589 ] [ 0.725302 0 0.083589 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 7.08501708107 "source-unit" "angstrom" } "c" { "source-value" 7.27732614 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.695888422916667 "source-unit" "eV" } }