{ "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" [ [ 0.333333 0.666667 0.362906 ] [ 0.666667 0.333333 0.862906 ] [ 0.333333 0.666667 0.736243 ] [ 0.666667 0.333333 0.236243 ] [ 0.825612 0.651223 0.546072 ] [ 0.174388 0.825612 0.046072 ] [ 0.651223 0.825612 0.046072 ] [ 0.348777 0.174388 0.546072 ] [ 0.825612 0.174388 0.546072 ] [ 0.174388 0.348777 0.046072 ] [ 0 0 0.814834 ] [ 0 0 0.314834 ] [ 0 0 0.623712 ] [ 0 0 0.123712 ] [ 0.152552 0.305104 0.87413 ] [ 0.847448 0.152552 0.37413 ] [ 0.305104 0.152552 0.37413 ] [ 0.694896 0.847448 0.87413 ] [ 0.152552 0.847448 0.87413 ] [ 0.847448 0.694896 0.37413 ] [ 0.975057 0.487529 0.598533 ] [ 0.487529 0.975057 0.098533 ] [ 0.487529 0.512471 0.098533 ] [ 0.512471 0.487529 0.598533 ] [ 0.024943 0.512471 0.098533 ] [ 0.512471 0.024943 0.598533 ] ] } "species" { "source-value" [ "Ba" "Ba" "Y" "Y" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" 6.1054542005 "source-unit" "angstrom" } "c" { "source-value" 9.94432054 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.049030403076923 "source-unit" "eV" } }