{ "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" [ [ 0.724538 0 0.75 ] [ 0 0.275462 0.25 ] [ 0.724538 0.724538 0.25 ] [ 0.333333 0.666667 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.666667 0.333333 0 ] [ 0.275462 0 0.25 ] [ 0.275462 0.275462 0.75 ] [ 0 0.724538 0.75 ] [ 0.385151 0 0.75 ] [ 0.614849 0 0.25 ] [ 0 0.614849 0.25 ] [ 0.614849 0.614849 0.75 ] [ 0 0.385151 0.75 ] [ 0.385151 0.385151 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "I" "I" ] } "a" { "source-value" 9.87851843966 "source-unit" "angstrom" } "c" { "source-value" 7.19348452 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.903966035 "source-unit" "eV" } }