{"qid": "R006", "attribution": {"qid": "A5", "contact": {"qid": "C2", "name": "Andrea SAND", "institution": {"qid": "I2", "name": "Department of Physics, University of Helsinki", "country": "Finland"}, "email": "andrea.sand@helsinki.fi"}, "source_doi": "10.1038/s41467-018-03415-5", "source_url": "http://dx.doi.org/10.1038/s41467-018-03415-5", "acknowledgements": "This work, supported by the European Communities under the contract of Association between EURATOM/Tekes, was carried out within the framework of the European Fusion Development Agreement. \r\n\r\nThe views and opinions expressed herein do not necessarily reflect those of the European Commission.\r\n\r\nGrants for computer time from the Centre for Scientific Computing in Espoo, Finland, are gratefully acknowledged."}, "material": {"chemical-formula": "Fe", "structure": "bcc", "lattice-parameters": {"a": 2.8553, "b": 2.8553, "c": 2.8553, "alpha": 90.0, "beta": 90.0, "gamma": 90.0}}, "potential": {"filename": "eam.Fe.Fe.in", "uri": "https://cascadesdb.org/potential/2"}, "has-surface": false, "initially-perfect": true, "PKA-atomic-number": 26, "PKA-energy": 20.0, "recoil": true, "electronic-stopping": true, "electronic-stopping-comment": "for all atoms with K.E. >10 eV; see publication", "thermostat": true, "thermostat-comment": "on borders, 0 Kelvin; see publication", "simulation-time": 40.0, "initial-temperature": 0.0, "simulation-box": {"box-X-length": 192.29, "box-Y-length": 192.29, "box-Z-length": 192.29, "box-X-orientation": "100", "box-Y-orientation": "010", "box-Z-orientation": "001"}, "code": {"name": "PARCAS", "version": "4.0"}, "archive-name": "006-fpos-20.tar.bz2", "archive_filesize": 58187775, "number-of-simulations": 10, "comments": "This data set is provided as part of the IAEA Challenge: \"Modelling Damage in a Fusion Reactor\", April 2018\u00a0\u2013\u00a0June 2018. See https://challenge.iaea.org/ for more details."}