864 Lattice="15.336976377964815 0.0 0.0 15.336976377964815 18.783883161566358 0.0 0.0 0.0 70.83845952298331" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2997.210817766238 stress="0.0029721361435331895 -1.5176310430246187e-07 -3.617233005314903e-07 -1.5176310430246187e-07 0.0026432504320332896 2.230268251261879e-06 -3.617233005314903e-07 2.230268251261879e-06 2.977132628242023e-07" free_energy=-2997.210817766238 pbc="T T F" Cu 15.33826774 18.77712460 17.82618997 -0.00000168 0.00000737 0.00000066 Cu 3.83553535 2.09771447 18.45907264 -0.00000133 0.00000660 0.00000097 Cu 17.89443039 18.77712464 17.82618986 -0.00000031 0.00000714 0.00000234 Cu 6.39169807 2.09771436 18.45907263 -0.00000106 0.00000755 0.00000178 Cu 17.89443004 16.70890369 19.16218321 -0.00000092 0.00000853 0.00000112 Cu 6.39169712 0.01656476 19.98134177 0.00000063 0.00000719 0.00000126 Cu 20.45059281 16.70890370 19.16218328 -0.00000153 0.00000762 0.00000049 Cu 8.94786004 0.01656476 19.98134196 -0.00000281 0.00000630 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