{"qid": "R012", "attribution": {"qid": "A6", "contact": {"qid": "C4", "name": "Wahyu SETYAWAN", "institution": {"qid": "I4", "name": "Pacific Northwest National Laboratory (PNNL)", "country": "United States of America"}, "email": "wahyu.setyawan@pnnl.gov"}, "source_doi": "10.1016/j.jnucmat.2014.12.056", "source_url": "http://dx.doi.org/10.1016/j.jnucmat.2014.12.056", "acknowledgements": "This research has been partially supported by the U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences (#DE-AC06-76RL0-1830), and partially supported by the U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences and Office of Advanced Scientific Computing Research through the Scientific Discovery through Advanced Computing (SciDAC) Project on Plasma-Surface Interactions, under Award No. DE-SC0008875. Computations were performed on Olympus cluster at Pacific Northwest National Laboratory (Fusion account)."}, "material": {"chemical-formula": "W", "structure": "bcc", "lattice-parameters": {"a": 3.16739, "b": 3.16739, "c": 3.16739, "alpha": 90.0, "beta": 90.0, "gamma": 90.0}}, "potential": {"filename": "W_Juslin2010_AT_mod.eam.fs", "source-doi": "10.1016/j.jnucmat.2012.07.023", "uri": "https://cascadesdb.org/potential/3"}, "has-surface": false, "initially-perfect": true, "PKA-atomic-number": 74, "PKA-energy": 75.0, "recoil": true, "electronic-stopping": false, "thermostat": true, "thermostat-comment": "Initial thermalization: NPT 30 ps Cascade: NVE for the first 10 ps, followed by NVT (whole system); see publication", "input-filename": "therm.in cascade.in", "simulation-time": 50.0, "initial-temperature": 300.0, "simulation-box": {"box-X-length": 316.739, "box-Y-length": 316.739, "box-Z-length": 316.739, "box-X-orientation": "100", "box-Y-orientation": "010", "box-Z-orientation": "001"}, "code": {"name": "LAMMPS", "version": "5Mar12"}, "archive-name": "012-T300K_75keV_data.tar.gz", "archive_filesize": 367696550, "number-of-simulations": 15, "comments": "<PKA id list>\r\nrun PKA_id\r\n1 383119\r\n2 383219\r\n3 383319\r\n4 383419\r\n5 393119\r\n6 393219\r\n7 393319\r\n8 393419\r\n9 403119\r\n10 403219\r\n11 403319\r\n12 403419\r\n13 413119\r\n14 413219\r\n15 413319"}