{ "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 0.758638 0.75 ] [ 0 0.241362 0.25 ] [ 0.758638 0.758638 0.25 ] [ 0.758638 0 0.75 ] [ 0.241362 0.241362 0.75 ] [ 0.241362 0 0.25 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.393997 0 0.75 ] [ 0.393997 0.393997 0.25 ] [ 0 0.606003 0.25 ] [ 0 0.393997 0.75 ] [ 0.606003 0.606003 0.75 ] [ 0.606003 0 0.25 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" 8.42540756751 "source-unit" "angstrom" } "c" { "source-value" 6.33998846 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.39078009375 "source-unit" "eV" } }