{ "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 0.5 ] [ 0.5 0 0.25036 ] [ 0.5 0.5 0.25036 ] [ 0 0.5 0.25036 ] [ 0.5 0 0.74964 ] [ 0.5 0.5 0.74964 ] [ 0 0.5 0.74964 ] [ 0 0 0.160942 ] [ 0 0 0.839058 ] [ 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" [ "Zr" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" 5.12989158133 "source-unit" "angstrom" } "c" { "source-value" 8.13135672 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.325556015384615 "source-unit" "eV" } }