864 Lattice="15.242902399371099 0.0 0.0 15.2429023993711 18.668666538752298 0.0 0.0 0.0 35.20197521403239" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2991.7754349172747 stress="20.72813710610519 -0.013138372159563705 -0.0313395447996232 -0.013138372159563705 12.306271093546094 0.03332025815527828 -0.0313395447996232 0.03332025815527828 0.00506896538901902" pbc="T T F" Cu 0.00138317 -0.01641817 0.04669174 -0.00000436 0.00000491 0.00000115 Cu 3.81210797 2.06020175 0.73939636 -0.00000445 0.00000402 0.00000032 Cu 2.54186686 -0.01641767 0.04669140 -0.00000418 0.00000455 0.00000201 Cu 6.35259176 2.06020047 0.73939712 -0.00000447 0.00000513 0.00000067 Cu 17.78476695 16.59239226 1.45797712 -0.00000501 0.00000587 0.00000091 Cu 6.35258868 0.00231959 2.22092928 -0.00000497 0.00000509 0.00000020 Cu 20.32525087 16.59239146 1.45797780 -0.00000470 0.00000623 0.00000080 Cu 8.89307230 0.00231875 2.22092993 -0.00000336 0.00000498 0.00000004 Cu 20.32524845 14.52283293 2.93361914 -0.00000462 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13.20468908 -0.00000154 0.00000275 -0.00000091 Cu 11.43347001 2.07563456 13.93771003 -0.00000078 0.00000161 0.00000187 Cu 25.40613862 18.66998797 13.20468925 -0.00000183 0.00000122 -0.00000099 Cu 13.97395381 2.07563528 13.93770959 -0.00000161 0.00000185 0.00000017 Cu 25.40612272 16.59569232 14.67117807 -0.00000099 0.00000123 -0.00000061 Cu 29.21683992 18.67002708 15.40468036 -0.00000101 -0.00000060 -0.00000027 Cu 27.94660644 16.59569277 14.67117761 -0.00000067 0.00000235 0.00000054 Cu 16.51442124 18.67002753 15.40468003 -0.00000093 0.00000039 -0.00000097 Cu 12.70368775 14.52144358 16.13792920 -0.00000164 -0.00000010 -0.00000003 Cu 16.51440461 16.59574221 16.87130176 -0.00000022 -0.00000022 -0.00000083 Cu 15.24417134 14.52144424 16.13792874 0.00000054 0.00000030 -0.00000065 Cu 19.05488833 16.59574200 16.87130181 -0.00000017 0.00000006 0.00000083 Cu 15.24415488 12.44718143 17.60475569 -0.00000102 0.00000005 0.00000137 Cu 19.05487175 14.52147911 18.33812882 0.00000062 0.00000045 0.00000085 Cu 17.78463854 12.44718165 17.60475565 -0.00000004 -0.00000098 0.00000022 Cu 21.59535546 14.52147853 18.33812931 0.00000091 -0.00000076 0.00000076 Cu 17.78462179 10.37289636 19.07137773 0.00000325 -0.00000149 -0.00000087 Cu 21.59533925 12.44722918 19.80488113 0.00000070 -0.00000123 -0.00000104 Cu 20.32510583 10.37289577 19.07137799 -0.00000172 0.00000001 0.00000051 Cu 24.13582293 12.44722887 19.80488146 0.00000173 -0.00000293 -0.00000122 Cu 20.32508921 8.29862100 20.53834908 0.00000188 -0.00000161 -0.00000012 Cu 8.89290471 10.37293306 21.27137062 0.00000124 -0.00000041 -0.00000087 Cu 7.62267057 8.29862042 20.53834957 0.00000148 -0.00000197 -0.00000086 Cu 11.43338843 10.37293325 21.27137038 0.00000153 0.00000015 0.00000046 Cu 7.62265457 6.22439835 22.00506438 0.00000090 -0.00000210 0.00000044 Cu 11.43337292 8.29863593 22.73864045 0.00000309 -0.00000324 0.00000068 Cu 10.16313812 6.22439828 22.00506454 0.00000383 -0.00000229 -0.00000070 Cu 13.97385671 8.29863647 22.73863998 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