{ "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" [ [ 0.197038 0.394076 0.895709 ] [ 0.802962 0.605924 0.395709 ] [ 0.394076 0.197038 0.395709 ] [ 0.197038 0.802962 0.895709 ] [ 0.605924 0.802962 0.895709 ] [ 0.802962 0.197038 0.395709 ] [ 0.333333 0.666667 0.326327 ] [ 0.666667 0.333333 0.826327 ] [ 0.858617 0.717234 0.78413 ] [ 0.141383 0.282766 0.28413 ] [ 0.717234 0.858617 0.28413 ] [ 0.858617 0.141383 0.78413 ] [ 0.534804 0.465196 0.108107 ] [ 0.069608 0.534804 0.608107 ] [ 0.465196 0.930392 0.608107 ] [ 0.534804 0.069608 0.108107 ] [ 0.930392 0.465196 0.108107 ] [ 0.465196 0.534804 0.608107 ] [ 0.141383 0.858617 0.28413 ] [ 0.282766 0.141383 0.78413 ] [ 0.666667 0.333333 0.501282 ] [ 0.333333 0.666667 0.001282 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" ] } "a" { "source-value" 9.57617638165 "source-unit" "angstrom" } "c" { "source-value" 7.30659379 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.6432331577272725 "source-unit" "eV" } }