{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.807488 0 0.5 ] [ 0 0.807488 0.5 ] [ 0.192512 0.192512 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0.82823 0.207149 0 ] [ 0.621081 0.792851 0 ] [ 0.17177 0.378919 0 ] [ 0.207149 0.82823 0 ] [ 0.483292 0.365612 0.5 ] [ 0.88232 0.516708 0.5 ] [ 0.516708 0.88232 0.5 ] [ 0.365612 0.483292 0.5 ] [ 0.11768 0.634388 0.5 ] [ 0.549574 0.549574 0 ] [ 0 0.450426 0 ] [ 0.450426 0 0 ] [ 0.378919 0.17177 0 ] [ 0.288641 0 0.5 ] [ 0 0.288641 0.5 ] [ 0.711359 0.711359 0.5 ] [ 0 0 0 ] [ 0.634388 0.11768 0.5 ] [ 0.792851 0.621081 0 ] [ 0.172599 0.47957 0.5 ] [ 0.52043 0.693029 0.5 ] [ 0.306971 0.827401 0.5 ] [ 0.827401 0.306971 0.5 ] [ 0.693029 0.52043 0.5 ] [ 0 0.630915 0 ] [ 0.369085 0.369085 0 ] [ 0.176831 0 0 ] [ 0 0.176831 0 ] [ 0.823169 0.823169 0 ] [ 0.47957 0.172599 0.5 ] [ 0.630915 0 0 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "a" { "source-value" 12.7283802084 "source-unit" "angstrom" } "c" { "source-value" 3.97896174 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.191457259444444 "source-unit" "eV" } }