256 Lattice="10.822566986083984 0.0 0.0 0.0 10.822566986083984 0.0 0.0 0.0 10.822566986083984" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-684.7224236340387 pbc="F F F" C -0.01873691 -0.02415690 0.00003700 6 5.38287163 5.62288326 5.68909555 C 1.37586505 1.31849440 -0.00073153 6 -1.22572769 2.21387820 -0.32287584 C 1.33666080 -0.01387087 1.35446354 6 1.46651340 -1.71243856 -1.10888619 C -0.02653745 1.33671659 1.36687778 6 -2.04788475 2.17634882 -3.30089317 C 2.68999101 -0.01512760 -0.02430604 6 0.88122599 4.79898271 4.74651603 C 4.06931768 1.34888078 0.02240625 6 -1.40356353 -2.83779966 -3.07302177 C 4.07147916 -0.02162395 1.37523237 6 -1.06479680 -1.48216692 -1.06285947 C 2.72901118 1.36997403 1.37074820 6 -1.98710608 -1.02751950 0.38887580 C 5.42109714 0.01195015 0.00904690 6 -1.43711746 2.70765413 3.20118432 C 6.76901292 1.33968216 -0.01983081 6 1.20063865 2.23152245 -3.95370671 C 6.77634480 0.00522327 1.32796843 6 -0.79104651 -3.99058345 0.82616582 C 5.44352243 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