{ "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" [ [ 0.851372 0.702745 0.291603 ] [ 0.530297 0.060593 0.623931 ] [ 0.060593 0.530297 0.123931 ] [ 0.939407 0.469703 0.623931 ] [ 0.530297 0.469703 0.623931 ] [ 0.469703 0.939407 0.123931 ] [ 0.702745 0.851372 0.791603 ] [ 0.297255 0.148628 0.291603 ] [ 0.851372 0.148628 0.291603 ] [ 0.148628 0.297255 0.791603 ] [ 0.469703 0.530297 0.123931 ] [ 0.148628 0.851372 0.791603 ] [ 0.666667 0.333333 0.002627 ] [ 0.333333 0.666667 0.502627 ] [ 0.189509 0.379018 0.398073 ] [ 0.810491 0.189509 0.898073 ] [ 0.189509 0.810491 0.398073 ] [ 0.810491 0.620982 0.898073 ] [ 0.666667 0.333333 0.344551 ] [ 0.333333 0.666667 0.844551 ] [ 0.379018 0.189509 0.898073 ] [ 0.620982 0.810491 0.398073 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Hg" "Hg" "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 10.1028475729 "source-unit" "angstrom" } "c" { "source-value" 7.79280725 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.1041663822727275 "source-unit" "eV" } }