{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.070347 ] [ 0.666667 0.333333 0.570347 ] [ 0.12696 0.87304 0.241013 ] [ 0.253919 0.12696 0.741013 ] [ 0.87304 0.746081 0.741013 ] [ 0.12696 0.253919 0.241013 ] [ 0.746081 0.87304 0.241013 ] [ 0.87304 0.12696 0.741013 ] [ 0.544335 0.455665 0.038614 ] [ 0.08867 0.544335 0.538614 ] [ 0.455665 0.91133 0.538614 ] [ 0.544335 0.08867 0.038614 ] [ 0.91133 0.455665 0.038614 ] [ 0.455665 0.544335 0.538614 ] [ 0.813558 0.186442 0.306924 ] [ 0.627115 0.813558 0.806924 ] [ 0.186442 0.372885 0.806924 ] [ 0.813558 0.627115 0.306924 ] [ 0.372885 0.186442 0.306924 ] [ 0.186442 0.813558 0.806924 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 9.82636821764 "source-unit" "angstrom" } "c" { "source-value" 6.214559 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.203940616500001 "source-unit" "eV" } }