{ "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" [ [ 0.666667 0.333333 0.254332 ] [ 0.333333 0.666667 0.754332 ] [ 0 0 0.520055 ] [ 0 0 0.020055 ] [ 0.154489 0.845511 0.269538 ] [ 0.308978 0.154489 0.769538 ] [ 0.154489 0.308978 0.269538 ] [ 0.845511 0.154489 0.769538 ] [ 0.691022 0.845511 0.269538 ] [ 0.845511 0.691022 0.769538 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cr" "Cr" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 7.38377272351 "source-unit" "angstrom" } "c" { "source-value" 6.19073533 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.594064336000001 "source-unit" "eV" } }