{"qid": "R00c", "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": 3.16738, "b": 3.16738, "c": 3.16738, "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": 15.0, "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": 158.369, "box-Y-length": 158.369, "box-Z-length": 158.369, "box-X-orientation": "100", "box-Y-orientation": "010", "box-Z-orientation": "001"}, "code": {"name": "LAMMPS", "version": "5Mar12"}, "archive-name": "00c-T300K_15keV_data.tar.gz", "archive_filesize": 62960544, "number-of-simulations": 20, "comments": "<PKA id list>\r\nrun PKA_id\r\n1 33164\r\n2 33165\r\n3 33166\r\n4 33214\r\n5 33215\r\n6 33216\r\n7 33264\r\n8 33265\r\n9 33266\r\n10 33314\r\n11 33315\r\n12 33316\r\n13 35664\r\n14 35665\r\n15 35666\r\n16 35714\r\n17 35715\r\n18 35716\r\n19 35764\r\n20 35765"}