{ "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/m" } "basis-atom-coordinates" { "source-value" [ [ 0.589145 0.679592 0.75 ] [ 0.090447 0.410855 0.75 ] [ 0.410855 0.320408 0.25 ] [ 0.320408 0.909553 0.75 ] [ 0.909553 0.589145 0.25 ] [ 0.679592 0.090447 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.947923 0.759049 0.75 ] [ 0.240951 0.188875 0.75 ] [ 0.052077 0.240951 0.25 ] [ 0.188875 0.947923 0.25 ] [ 0.811125 0.052077 0.75 ] [ 0.759049 0.811125 0.25 ] [ 0.634605 0.479354 0.988574 ] [ 0.844749 0.365395 0.511426 ] [ 0.479354 0.844749 0.011426 ] [ 0.520646 0.155251 0.511426 ] [ 0.479354 0.844749 0.488574 ] [ 0.155251 0.634605 0.488574 ] [ 0.365395 0.520646 0.488574 ] [ 0.155251 0.634605 0.011426 ] [ 0.520646 0.155251 0.988574 ] [ 0.634605 0.479354 0.511426 ] [ 0.844749 0.365395 0.988574 ] [ 0.365395 0.520646 0.011426 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ta" "Ta" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 9.3217520559 "source-unit" "angstrom" } "c" { "source-value" 5.41006117 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.979409857692308 "source-unit" "eV" } }