{ "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" [ [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.381562 0.289972 0.75 ] [ 0.908409 0.618438 0.75 ] [ 0.710028 0.091591 0.75 ] [ 0.289972 0.908409 0.25 ] [ 0.091591 0.381562 0.25 ] [ 0.618438 0.710028 0.25 ] [ 0.210718 0.191263 0.75 ] [ 0.565396 0.536277 0.25 ] [ 0.451714 0.25675 0.948805 ] [ 0.451714 0.25675 0.551195 ] [ 0.463723 0.02912 0.25 ] [ 0.805036 0.548286 0.551195 ] [ 0.805036 0.548286 0.948805 ] [ 0.980545 0.789282 0.75 ] [ 0.74325 0.194964 0.948805 ] [ 0.74325 0.194964 0.551195 ] [ 0.191263 0.980545 0.25 ] [ 0.02912 0.565396 0.75 ] [ 0.97088 0.434604 0.25 ] [ 0.808737 0.019455 0.75 ] [ 0.25675 0.805036 0.448805 ] [ 0.25675 0.805036 0.051195 ] [ 0.019455 0.210718 0.25 ] [ 0.194964 0.451714 0.051195 ] [ 0.194964 0.451714 0.448805 ] [ 0.536277 0.97088 0.75 ] [ 0.548286 0.74325 0.051195 ] [ 0.548286 0.74325 0.448805 ] [ 0.434604 0.463723 0.75 ] [ 0.789282 0.808737 0.25 ] ] } "species" { "source-value" [ "La" "La" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 9.55593907 "source-unit" "angstrom" } "c" { "source-value" 5.96292236 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.85760167875 "source-unit" "eV" } }