{ "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 0 0.25 ] [ 0 0 0.75 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.366803 0.329329 0.25 ] [ 0.366803 0.037475 0.25 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0.67682 0.83841 0.022504 ] [ 0.16159 0.32318 0.022504 ] [ 0.83841 0.16159 0.977496 ] [ 0.32318 0.16159 0.977496 ] [ 0.633197 0.962525 0.75 ] [ 0.67682 0.83841 0.477496 ] [ 0.333333 0.666667 0.899822 ] [ 0.329329 0.366803 0.75 ] [ 0.962525 0.633197 0.25 ] [ 0.16159 0.32318 0.477496 ] [ 0.329329 0.962525 0.75 ] [ 0.670671 0.633197 0.25 ] [ 0.666667 0.333333 0.399822 ] [ 0.32318 0.16159 0.522504 ] [ 0.16159 0.83841 0.022504 ] [ 0 0.5 0 ] [ 0.037475 0.670671 0.75 ] [ 0.333333 0.666667 0.600178 ] [ 0.670671 0.037475 0.25 ] [ 0.666667 0.333333 0.100178 ] [ 0.83841 0.67682 0.977496 ] [ 0.962525 0.329329 0.25 ] [ 0.83841 0.16159 0.522504 ] [ 0.037475 0.366803 0.75 ] [ 0.83841 0.67682 0.522504 ] [ 0.5 0.5 0 ] [ 0.633197 0.670671 0.75 ] [ 0.16159 0.83841 0.477496 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 8.99349200312 "source-unit" "angstrom" } "c" { "source-value" 8.80458731 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.3742829713157896 "source-unit" "eV" } }