{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P622" } "basis-atom-coordinates" { "source-value" [ [ 0.141872 0.455309 0.345521 ] [ 0.686563 0.141872 0.345521 ] [ 0.455309 0.141872 0.654479 ] [ 0.686563 0.544691 0.654479 ] [ 0.858128 0.544691 0.345521 ] [ 0.544691 0.858128 0.654479 ] [ 0.455309 0.313437 0.345521 ] [ 0.141872 0.686563 0.654479 ] [ 0.544691 0.686563 0.345521 ] [ 0.313437 0.858128 0.345521 ] [ 0.858128 0.313437 0.654479 ] [ 0.313437 0.455309 0.654479 ] [ 0.754391 0.508782 0 ] [ 0.820983 0.641967 0.5 ] [ 0.591532 0.408468 0.5 ] [ 0.61397 0 0.5 ] [ 0.820983 0.179017 0.5 ] [ 0.408468 0.816937 0.5 ] [ 0.245609 0.754391 0 ] [ 0.179017 0.358033 0.5 ] [ 0.491218 0.245609 0 ] [ 0.754391 0.245609 0 ] [ 0.408468 0.591532 0.5 ] [ 0 0.61397 0.5 ] [ 0.183063 0.591532 0.5 ] [ 0.358033 0.179017 0.5 ] [ 0.38603 0.38603 0.5 ] [ 0.641967 0.820983 0.5 ] [ 0.508782 0.754391 0 ] [ 0 0.38603 0.5 ] [ 0.179017 0.820983 0.5 ] [ 0.38603 0 0.5 ] [ 0.816937 0.408468 0.5 ] [ 0.245609 0.491218 0 ] [ 0.591532 0.183063 0.5 ] [ 0.61397 0.61397 0.5 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 12.7483071786 "source-unit" "angstrom" } "c" { "source-value" 3.77618209 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.121859435 "source-unit" "eV" } }