864 Lattice="15.33719983001891 0.0 0.0 15.33719983001891 18.784156833323614 0.0 0.0 0.0 70.83949160381204" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2972.738215001085 stress="0.0011660514294870774 -1.9995934344902108e-07 -6.638247226958821e-07 -1.9995934344902108e-07 0.0006301846472335542 2.366838103910757e-06 -6.638247226958821e-07 2.366838103910757e-06 2.3328459348797898e-07" free_energy=-2972.738215001085 pbc="T T F" Cu 0.00132084 0.03065090 17.67756146 -0.00000229 0.00000801 0.00000088 Cu 3.83561989 2.13125369 18.41332336 -0.00000222 0.00000785 0.00000080 Cu 2.55752081 0.03065089 17.67756148 -0.00000241 0.00000796 0.00000086 Cu 6.39181987 2.13125375 18.41332331 -0.00000233 0.00000767 0.00000095 Cu 17.89471898 16.70963432 19.11021394 -0.00000215 0.00000779 0.00000063 Cu 6.39181830 -0.00485578 19.93366326 -0.00000230 0.00000784 0.00000043 Cu 20.45091896 16.70963435 19.11021390 -0.00000238 0.00000771 0.00000078 Cu 8.94801827 -0.00485574 19.93366322 -0.00000218 0.00000756 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19.17274986 14.61131395 36.16138311 0.00000041 -0.00000010 0.00000015 Cu 17.89465391 12.52416748 35.42349739 0.00000019 -0.00000141 -0.00000040 Cu 21.72894985 14.61131400 36.16138309 -0.00000001 -0.00000050 0.00000021 Cu 17.89464573 10.43708100 36.89927983 0.00000048 -0.00000028 -0.00000072 Cu 21.72894168 12.52422594 37.63725982 0.00000018 -0.00000182 0.00000025 Cu 20.45084571 10.43708107 36.89927976 0.00000032 -0.00000116 0.00000029 Cu 24.28514162 12.52422596 37.63725979 0.00000082 -0.00000199 0.00000062 Cu 20.45083775 8.34997900 38.37510317 0.00000076 -0.00000230 -0.00000086 Cu 8.94793387 10.43714323 39.11299547 0.00000184 -0.00000198 -0.00000050 Cu 7.66983791 8.34997906 38.37510315 0.00000049 -0.00000290 -0.00000089 Cu 11.50413396 10.43714323 39.11299545 -0.00000018 -0.00000219 -0.00000010 Cu 7.66983028 6.26289625 39.85107237 0.00000132 -0.00000305 -0.00000035 Cu 11.50412646 8.35001788 40.58878833 0.00000114 -0.00000394 -0.00000029 Cu 10.22603030 6.26289627 39.85107234 0.00000040 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