{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3cm" } "basis-atom-coordinates" { "source-value" [ [ 0.67107 0 0.758182 ] [ 0.32893 0 0.258182 ] [ 0 0.32893 0.258182 ] [ 0.32893 0.32893 0.758182 ] [ 0 0.67107 0.758182 ] [ 0.67107 0.67107 0.258182 ] [ 0.333333 0.666667 0.486537 ] [ 0 0 0.062215 ] [ 0.666667 0.333333 0.986537 ] [ 0.333333 0.666667 0.986537 ] [ 0 0 0.562215 ] [ 0.666667 0.333333 0.486537 ] [ 0 0.828802 0.316908 ] [ 0.171198 0 0.816908 ] [ 0.514388 0.333393 0.23574 ] [ 0.828802 0 0.316908 ] [ 0 0.171198 0.816908 ] [ 0.171198 0.171198 0.316908 ] [ 0.828802 0.828802 0.816908 ] [ 0.666607 0.180995 0.23574 ] [ 0.666607 0.485612 0.73574 ] [ 0.485612 0.666607 0.73574 ] [ 0.819005 0.333393 0.73574 ] [ 0.333393 0.819005 0.73574 ] [ 0.333393 0.514388 0.23574 ] [ 0.819005 0.485612 0.23574 ] [ 0.514388 0.180995 0.73574 ] [ 0.180995 0.514388 0.73574 ] [ 0.180995 0.666607 0.23574 ] [ 0.485612 0.819005 0.23574 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "a" { "source-value" 12.7014063292 "source-unit" "angstrom" } "c" { "source-value" 6.03515944 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.6151696523333334 "source-unit" "eV" } }