{"qid": "R014", "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": 1.0, "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": 30.0, "initial-temperature": 300.0, "simulation-box": {"box-X-length": 95.0218, "box-Y-length": 95.0218, "box-Z-length": 95.0218, "box-X-orientation": "100", "box-Y-orientation": "010", "box-Z-orientation": "001"}, "code": {"name": "LAMMPS", "version": "5Mar12"}, "archive-name": "014-T300K_1keV_data.tar.gz", "archive_filesize": 14598371, "number-of-simulations": 20, "comments": "<PKA id list>\r\nrun PKA_id\r\n1 7449\r\n2 7479\r\n3 7509\r\n4 8349\r\n5 8379\r\n6 8409\r\n7 9249\r\n8 9279\r\n9 9309\r\n10 10149\r\n11 10179\r\n12 10209\r\n13 11049\r\n14 11079\r\n15 11109\r\n16 11949\r\n17 11979\r\n18 12009\r\n19 12849\r\n20 12879"}