{ "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 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.57109 ] [ 0.666667 0.333333 0.07109 ] [ 0.333333 0.666667 0.92891 ] [ 0.666667 0.333333 0.42891 ] [ 0.333333 0.666667 0.322895 ] [ 0.666667 0.333333 0.822895 ] [ 0.666667 0.333333 0.677105 ] [ 0.333333 0.666667 0.177105 ] [ 0.121397 0.359331 0.09638 ] [ 0.762066 0.121397 0.59638 ] [ 0.359331 0.237934 0.59638 ] [ 0.640669 0.762066 0.09638 ] [ 0.237934 0.878603 0.09638 ] [ 0.878603 0.640669 0.59638 ] [ 0.878603 0.640669 0.90362 ] [ 0.237934 0.878603 0.40362 ] [ 0.640669 0.762066 0.40362 ] [ 0.359331 0.237934 0.90362 ] [ 0.439069 0.431837 0.25 ] [ 0.007232 0.439069 0.75 ] [ 0.431837 0.992768 0.75 ] [ 0.568163 0.007232 0.25 ] [ 0.992768 0.560931 0.25 ] [ 0.560931 0.568163 0.75 ] [ 0.121397 0.359331 0.40362 ] [ 0.762066 0.121397 0.90362 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "W" "W" "W" "W" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 7.4333276101 "source-unit" "angstrom" } "c" { "source-value" 16.3052095 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.579386604285714 "source-unit" "eV" } }