{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.257944 ] [ 0.333333 0.666667 0.988771 ] [ 0 0 0.004553 ] [ 0.666667 0.333333 0.748856 ] [ 0.666667 0.333333 0.49499 ] [ 0.333333 0.666667 0.50483 ] [ 0 0 0.500321 ] [ 0.666667 0.333333 0.005089 ] [ 0.992396 0.662538 0.620226 ] [ 0.657108 0.986489 0.122104 ] [ 0.664268 0.670533 0.37944 ] [ 0.670142 0.007604 0.620226 ] [ 0.329381 0.342892 0.122104 ] [ 0.006265 0.335732 0.37944 ] [ 0.329467 0.993735 0.37944 ] [ 0.990687 0.326266 0.876445 ] [ 0.337462 0.329858 0.620226 ] [ 0.013511 0.670619 0.122104 ] [ 0.335578 0.009313 0.876445 ] [ 0.673734 0.664422 0.876445 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 5.95376858 "source-unit" "angstrom" } "c" { "source-value" 10.9427226 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.028339978 "source-unit" "eV" } }