{ "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 0.322104 0.75 ] [ 0.322104 0.322104 0.25 ] [ 0 0.677896 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.322104 0 0.75 ] [ 0.677896 0.677896 0.75 ] [ 0.677896 0 0.25 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0.5 ] [ 0 0.368464 0.394537 ] [ 0 0.368464 0.105463 ] [ 0 0.631536 0.894537 ] [ 0 0.631536 0.605463 ] [ 0.368464 0.368464 0.894537 ] [ 0.368464 0.368464 0.605463 ] [ 0.631536 0.631536 0.394537 ] [ 0.631536 0.631536 0.105463 ] [ 0.368464 0 0.394537 ] [ 0.368464 0 0.105463 ] [ 0.631536 0 0.894537 ] [ 0.631536 0 0.605463 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Sn" "Sn" "Sn" "Sn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.59407388 "source-unit" "angstrom" } "c" { "source-value" 11.18420238 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.29370091125 "source-unit" "eV" } }