{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.404102 0.404102 0 ] [ 0.595898 0 0 ] [ 0 0.595898 0 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0.5 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.25115 0 0.747141 ] [ 0.74885 0.74885 0.252859 ] [ 0 0.25115 0.252859 ] [ 0.25115 0 0.252859 ] [ 0.74885 0.74885 0.747141 ] [ 0 0.25115 0.747141 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "B" "B" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "a" { "source-value" 6.67733866966 "source-unit" "angstrom" } "c" { "source-value" 5.63220428 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.421852394615385 "source-unit" "eV" } }