{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.900007 0.599993 0.400007 ] [ 0.599993 0.400007 0.900007 ] [ 0.400007 0.900007 0.599993 ] [ 0.099993 0.099993 0.099993 ] [ 0.596899 0.903101 0.096899 ] [ 0.903101 0.096899 0.596899 ] [ 0.096899 0.596899 0.903101 ] [ 0.403101 0.403101 0.403101 ] [ 0.104909 0.696188 0.116904 ] [ 0.604909 0.803812 0.883096 ] [ 0.895091 0.196188 0.383096 ] [ 0.803812 0.883096 0.604909 ] [ 0.383096 0.895091 0.196188 ] [ 0.883096 0.604909 0.803812 ] [ 0.696188 0.116904 0.104909 ] [ 0.116904 0.104909 0.696188 ] [ 0.176237 0.348363 0.414567 ] [ 0.414567 0.176237 0.348363 ] [ 0.348363 0.414567 0.176237 ] [ 0.151637 0.585433 0.676237 ] [ 0.914567 0.323763 0.651637 ] [ 0.651637 0.914567 0.323763 ] [ 0.085433 0.823763 0.848363 ] [ 0.585433 0.676237 0.151637 ] [ 0.848363 0.085433 0.823763 ] [ 0.676237 0.151637 0.585433 ] [ 0.823763 0.848363 0.085433 ] [ 0.323763 0.651637 0.914567 ] [ 0.543272 0.543272 0.543272 ] [ 0.956728 0.456728 0.043272 ] [ 0.043272 0.956728 0.456728 ] [ 0.456728 0.043272 0.956728 ] [ 0.395091 0.303812 0.616904 ] [ 0.616904 0.395091 0.303812 ] [ 0.303812 0.616904 0.395091 ] [ 0.196188 0.383096 0.895091 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Xe" "Xe" "Xe" "Xe" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 8.80969902 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.6277307494444444 "source-unit" "eV" } }