KIFF Database - Density Functional based Tight Binding
Last updated : 2018. 2. 6

About KIFF DFTB Database

KIFF DFTB(Density Functional based Tight Binding) Database is part of KIFF(KIST integrated force field platform). This DB is results from the project "Development of Fundamental Technologies for Computational Nano Science Platform" funded by Ministry of Science, ICT and Future Planning of Korea.

API

KIFF Database supports the rest api. You can get the list of informations of DFTB force fields in KIFF through the following URL.

http://kiff.vfab.org/api/v1/dftb

'element', 'author', and 'hash' can be used as search conditions.
For example, you can use the URL below to get information on the force field that supports a list of elements containing bromine and carbon created by 'Elstner'.

http://kiff.vfab.org/api/v1/dftb?elements=Br,C&author=Elstner

The contents of information of each force field in 'data' array are:

Key Value Type
id The id of force field in KIFF Number
description Force field description Text
elements List of elements supported by the the force field JSON array
published Date on which the paper containing the force field was published in the journal Text
(yyyy-mm-dd)
author The author(s) of research paper including the force field Text
doi The DOI(Digital Object Identifier) of research paper including the force field Text
hash The hash created by md5 algorithm for error checking of the parameters of the force field Text

You can get each force field by id using the URL below.

http://kiff.vfab.org/api/v1/dftb/(id)

The information obtained through the URL includes the following additional content:

Key Value Type
parameters An array of the files of the force field JSON array

If you want to load files for particular elements, you can call only some files by specifying the elements.
For example, you can only load files for Br and C in the force field with ID 101 using the following URL:

http://kiff.vfab.org/api/v1/dftb/101?elements=Br,C


Supported by NRF Nano Materials Technology Development Program of Korea