[4] We acknowledge helpful discussions with Dane Morgan, Paul Voyles, Rebecca Willet, Simon Billinge, Amanda Petford-Long, and John Mitchell. Use of the Center of Nanoscale Materials, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We gratefully acknowledge the computing resources provided on Blues, a high performance computing cluster operated by the Laboratory Computing Resource Center at Argonne National Laboratory.
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