{ "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/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.9456 ] [ 0.666667 0.333333 0.4456 ] [ 0 0 0.25 ] [ 0.666667 0.333333 0.0544 ] [ 0.333333 0.666667 0.5544 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.173392 ] [ 0.333333 0.666667 0.326608 ] [ 0.666667 0.333333 0.673392 ] [ 0.666667 0.333333 0.826608 ] [ 0.230043 0.878568 0.093374 ] [ 0.004473 0.554725 0.25 ] [ 0.449748 0.004473 0.75 ] [ 0.878568 0.648526 0.593374 ] [ 0.230043 0.878568 0.406626 ] [ 0.769957 0.121432 0.906626 ] [ 0.351474 0.230043 0.906626 ] [ 0.995527 0.445275 0.75 ] [ 0.550252 0.995527 0.25 ] [ 0.554725 0.550252 0.75 ] [ 0.769957 0.121432 0.593374 ] [ 0.648526 0.769957 0.093374 ] [ 0.445275 0.449748 0.25 ] [ 0.878568 0.648526 0.906626 ] [ 0.648526 0.769957 0.406626 ] [ 0.121432 0.351474 0.093374 ] [ 0.351474 0.230043 0.593374 ] [ 0.121432 0.351474 0.406626 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Mo" "Mo" "Mo" "Mo" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "a" { "source-value" 7.61836674363 "source-unit" "angstrom" } "c" { "source-value" 18.55969264 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.921888395357143 "source-unit" "eV" } }