{ "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/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0.446481 0.446481 0.792468 ] [ 0.553519 0 0.792468 ] [ 0 0.553519 0.792468 ] [ 0 0.446481 0.292468 ] [ 0.553519 0 0.707532 ] [ 0.553519 0.553519 0.292468 ] [ 0.446481 0 0.292468 ] [ 0.553519 0.553519 0.207532 ] [ 0 0.446481 0.207532 ] [ 0 0.553519 0.707532 ] [ 0.446481 0.446481 0.707532 ] [ 0.446481 0 0.207532 ] [ 0.653672 0.653672 0.903663 ] [ 0.346328 0 0.903663 ] [ 0 0.346328 0.903663 ] [ 0 0.653672 0.403663 ] [ 0.346328 0 0.596337 ] [ 0.653672 0 0.403663 ] [ 0 0.653672 0.096337 ] [ 0.346328 0.346328 0.096337 ] [ 0.653672 0 0.096337 ] [ 0.653672 0.653672 0.596337 ] [ 0 0.346328 0.596337 ] [ 0.346328 0.346328 0.403663 ] [ 0.743626 0.743626 0.849325 ] [ 0.743626 0.743626 0.650675 ] [ 0 0.256374 0.849325 ] [ 0 0.743626 0.349325 ] [ 0.256374 0 0.650675 ] [ 0.256374 0.256374 0.349325 ] [ 0.743626 0 0.349325 ] [ 0.256374 0.256374 0.150675 ] [ 0.743626 0 0.150675 ] [ 0 0.256374 0.650675 ] [ 0 0.743626 0.150675 ] [ 0.256374 0 0.849325 ] [ 0.639804 0.639804 0.25 ] [ 0 0.360196 0.25 ] [ 0 0.639804 0.75 ] [ 0.360196 0.360196 0.75 ] [ 0.360196 0 0.25 ] [ 0.639804 0 0.75 ] ] } "species" { "source-value" [ "Tb" "Tb" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 6.77564872992 "source-unit" "angstrom" } "c" { "source-value" 18.43071933 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.453514414 "source-unit" "eV" } }