{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0.340889 0.444628 0.247249 ] [ 0.103739 0.659111 0.913915 ] [ 0.555372 0.896261 0.580582 ] [ 0.444628 0.340889 0.752751 ] [ 0.659111 0.103739 0.086085 ] [ 0.896261 0.555372 0.419418 ] [ 0 0.550116 0.666667 ] [ 0.550116 0 0.333333 ] [ 0.449884 0.449884 0 ] [ 0 0.809558 0.166667 ] [ 0.190442 0.190442 0.5 ] [ 0.809558 0 0.833333 ] [ 0.140852 0.287045 0.876721 ] [ 0.133765 0.690704 0.274224 ] [ 0.309296 0.443061 0.607558 ] [ 0.146193 0.859148 0.543387 ] [ 0.287045 0.140852 0.123279 ] [ 0.712955 0.853807 0.210054 ] [ 0.556939 0.866235 0.940891 ] [ 0.690704 0.133765 0.725776 ] [ 0.443061 0.309296 0.392442 ] [ 0.859148 0.146193 0.456613 ] [ 0.853807 0.712955 0.789946 ] [ 0.866235 0.556939 0.059109 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.04153192 "source-unit" "angstrom" } "c" { "source-value" 11.42128475 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.12275050625 "source-unit" "eV" } }