{ "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" [ [ 0.666667 0.333333 0.28656 ] [ 0.202162 0.797838 0.25209 ] [ 0.797838 0.595677 0.75209 ] [ 0.797838 0.202162 0.75209 ] [ 0.595677 0.797838 0.25209 ] [ 0.333333 0.666667 0.78656 ] [ 0.202162 0.404323 0.25209 ] [ 0.404323 0.202162 0.75209 ] [ 0.532587 0.467413 0.03037 ] [ 0.532587 0.065174 0.03037 ] [ 0.065174 0.532587 0.53037 ] [ 0.934826 0.467413 0.03037 ] [ 0.467413 0.934826 0.53037 ] [ 0.467413 0.532587 0.53037 ] [ 0.666667 0.333333 0.631013 ] [ 0.333333 0.666667 0.131013 ] [ 0.131325 0.262649 0.862485 ] [ 0.737351 0.868675 0.862485 ] [ 0.262649 0.131325 0.362485 ] [ 0.868675 0.131325 0.362485 ] [ 0.868675 0.737351 0.362485 ] [ 0.131325 0.868675 0.862485 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "S" "S" "S" "S" "S" "S" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 9.37166191324 "source-unit" "angstrom" } "c" { "source-value" 6.88513218 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.201244175454545 "source-unit" "eV" } }