{"qid": "R120", "attribution": {"qid": "A15", "contact": {"qid": "C10", "name": "Huiqiu DENG", "institution": {"qid": "I7", "name": "Hunan University", "country": "China"}, "email": "hqdeng@hnu.edu.cn", "url": "http://grjl.hnu.edu.cn/p/5265"}, "source_doi": "10.1016/j.jnucmat.2018.01.059", "general-comments": "Contributors: Lixia Liu, Rongyang Qiu, Hiuqiu Deng, Hunan University", "acknowledgements": "This work was financially supported by the National MCF Energy R&D Program of China, the National Key R&D Program of China and the National Natural Science Foundation of China .\r\n\r\nThanks the National Supercomputing Center in Changsha for the computational resources provided."}, "material": {"chemical-formula": "W", "structure": "bcc", "lattice-parameters": {"a": 3.1652, "b": 3.1652, "c": 3.1652, "alpha": 90.0, "beta": 90.0, "gamma": 90.0}}, "potential": {"filename": "WRe_YC1.eam.fs", "source-doi": "10.1016/j.jnucmat.2018.01.059", "uri": "https://cascadesdb.org/potential/16"}, "has-surface": false, "initially-perfect": true, "PKA-atomic-number": 74, "PKA-energy": 5.0, "recoil": true, "electronic-stopping": false, "thermostat": true, "thermostat-comment": "on borders, 0 Kelvin;", "input-filename": "lammpsinput.in", "simulation-time": 20.0, "initial-temperature": 363.0, "simulation-box": {"box-X-length": 126.608, "box-Y-length": 126.608, "box-Z-length": 126.608, "box-X-orientation": "100", "box-Y-orientation": "010", "box-Z-orientation": "001"}, "code": {"name": "LAMMPS", "version": "Mar 31, 2017"}, "archive-name": "120-363K_5keV_235Direction.tar.bz2", "archive_filesize": 21510757, "number-of-simulations": 20}