{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.249384 ] [ 0.5 0.5 0.249384 ] [ 0 0.5 0.249384 ] [ 0.5 0 0.750616 ] [ 0.5 0.5 0.750616 ] [ 0 0.5 0.750616 ] [ 0 0 0.344988 ] [ 0 0 0.655012 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] ] } "species" { "source-value" [ "Lu" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" 5.09794730545 "source-unit" "angstrom" } "c" { "source-value" 8.13381658 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.662466191538462 "source-unit" "eV" } }