{ "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/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.467625 ] [ 0.666667 0.333333 0.967625 ] [ 0.666667 0.333333 0.532375 ] [ 0.333333 0.666667 0.032375 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.834289 0.165711 0.351451 ] [ 0.834289 0.668578 0.351451 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.834289 0.668578 0.148549 ] [ 0.165711 0.834289 0.648549 ] [ 0.668578 0.834289 0.648549 ] [ 0.331422 0.165711 0.148549 ] [ 0.834289 0.165711 0.148549 ] [ 0.165711 0.331422 0.851451 ] [ 0.165711 0.834289 0.851451 ] [ 0.165711 0.331422 0.648549 ] [ 0.668578 0.834289 0.851451 ] [ 0.331422 0.165711 0.351451 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0 0 0.75 ] [ 0 0 0.25 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.04100201074 "source-unit" "angstrom" } "c" { "source-value" 14.25531244 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.158980155416667 "source-unit" "eV" } }