864 Lattice="15.35835921278619 0.0 0.0 15.358359212786189 18.81007167884965 0.0 0.0 0.0 35.4686113032523" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3010.99868063 stress="0.0020388989981418833 -1.821054259250618e-06 -4.21642725812696e-06 -1.821054259250618e-06 0.0010643014310724253 3.599653834270186e-06 -4.21642725812696e-06 3.599653834270186e-06 2.4342809988660404e-07" pbc="T T F" Cu 0.00144304 -0.01741723 0.12718778 -0.00000631 0.00000620 -0.00000012 Cu 3.84103181 2.04218286 0.80677288 -0.00000644 0.00000575 -0.00000003 Cu 2.56116953 -0.01741674 0.12718741 -0.00000657 0.00000592 0.00000064 Cu 6.40075824 2.04218340 0.80677239 -0.00000640 0.00000564 0.00000039 Cu 17.91952630 16.72774228 1.49781421 -0.00000666 0.00000625 0.00000061 Cu 6.40075441 0.01233401 2.24712927 -0.00000611 0.00000520 0.00000106 Cu 20.47925274 16.72774295 1.49781407 -0.00000670 0.00000544 0.00000069 Cu 8.96048105 0.01233397 2.24712945 -0.00000636 0.00000561 0.00000002 Cu 20.47924822 14.62620131 2.95511068 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