{ "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" [ [ 0.782149 0.597246 0.775907 ] [ 0.815098 0.217851 0.442574 ] [ 0.402754 0.184902 0.109241 ] [ 0.217851 0.815098 0.557426 ] [ 0.597246 0.782149 0.224093 ] [ 0.184902 0.402754 0.890759 ] [ 0.124633 0.533824 0.462426 ] [ 0.466176 0.590809 0.79576 ] [ 0.409191 0.875367 0.129093 ] [ 0 0.821068 0.666667 ] [ 0.821068 0 0.333333 ] [ 0.178932 0.178932 0 ] [ 0.533824 0.124633 0.537574 ] [ 0.590809 0.466176 0.20424 ] [ 0.875367 0.409191 0.870907 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 4.40257518942 "source-unit" "angstrom" } "c" { "source-value" 8.81526782 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.024618075333333 "source-unit" "eV" } }