{ "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" [ [ 0.165727 0.834273 0.917709 ] [ 0.165727 0.834273 0.582291 ] [ 0.027618 0.513809 0.75 ] [ 0.165727 0.331455 0.582291 ] [ 0.165727 0.331455 0.917709 ] [ 0.486191 0.972382 0.75 ] [ 0.486191 0.513809 0.75 ] [ 0.331455 0.165727 0.082291 ] [ 0.331455 0.165727 0.417709 ] [ 0.668545 0.834273 0.917709 ] [ 0.668545 0.834273 0.582291 ] [ 0.513809 0.486191 0.25 ] [ 0.513809 0.027618 0.25 ] [ 0.834273 0.668545 0.082291 ] [ 0.834273 0.668545 0.417709 ] [ 0.972382 0.486191 0.25 ] [ 0.834273 0.165727 0.082291 ] [ 0.834273 0.165727 0.417709 ] [ 0.333333 0.666667 0.088987 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.411013 ] [ 0 0 0.75 ] [ 0.666667 0.333333 0.588987 ] [ 0.666667 0.333333 0.911013 ] [ 0.333333 0.666667 0.839576 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.660424 ] [ 0.666667 0.333333 0.339576 ] [ 0.666667 0.333333 0.160424 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 7.74588053 "source-unit" "angstrom" } "c" { "source-value" 19.7409437 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.2400819303333335 "source-unit" "eV" } }