{ "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/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0.5 ] [ 0.240848 0 0.25 ] [ 0.240848 0.240848 0.75 ] [ 0 0.759152 0.75 ] [ 0 0.240848 0.25 ] [ 0.759152 0.759152 0.25 ] [ 0.759152 0 0.75 ] [ 0.604821 0 0.25 ] [ 0.604821 0.604821 0.75 ] [ 0 0.395179 0.75 ] [ 0 0.604821 0.25 ] [ 0.395179 0.395179 0.25 ] [ 0.395179 0 0.75 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" 9.3089803028 "source-unit" "angstrom" } "c" { "source-value" 6.8589331 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.17326451625 "source-unit" "eV" } }