864 Lattice="15.358359181161754 0.0 0.0 15.358359181161754 18.810071640117783 0.0 0.0 0.0 70.93722246043758" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3001.759353293027 stress="0.00120497648510545 3.3764812896712266e-06 -7.242148657270584e-08 3.3764812896712266e-06 0.0006334597346311639 2.880129454690233e-06 -7.242148657270584e-08 2.880129454690233e-06 3.849077406177337e-07" free_energy=-3001.759353293027 pbc="T T F" Cu 15.33845740 0.20610624 17.91034086 -0.00000021 0.00000948 0.00000122 Cu 3.83283443 2.24738267 18.48457238 -0.00000022 0.00000950 0.00000141 Cu 2.54295495 0.19713788 17.92270113 -0.00000023 0.00000959 0.00000122 Cu 6.38330105 2.24957947 18.51278566 -0.00000018 0.00000939 0.00000127 Cu 17.91430902 16.77296395 19.15704422 -0.00000020 0.00000975 0.00000108 Cu 21.75350037 18.77715553 20.03763658 -0.00000020 0.00000935 0.00000118 Cu 20.47651549 16.73668885 19.18500815 -0.00000021 0.00000952 0.00000123 Cu 24.31027280 18.78505950 20.03836648 -0.00000020 0.00000934 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19.19348646 14.63198466 36.21501077 0.00000003 -0.00000091 -0.00000012 Cu 17.91427737 12.54226793 35.47996097 0.00000001 -0.00000031 -0.00000000 Cu 21.75337269 14.63131632 36.21561727 0.00000003 -0.00000090 -0.00000012 Cu 17.91652734 10.45256649 36.95794485 0.00000003 -0.00000154 -0.00000016 Cu 21.75465763 12.54117063 37.69881347 0.00000005 -0.00000214 -0.00000026 Cu 20.47617534 10.45200460 36.95888055 0.00000003 -0.00000154 -0.00000015 Cu 24.31427676 12.54079243 37.69881372 0.00000005 -0.00000213 -0.00000026 Cu 20.47914266 8.36309258 38.43517509 0.00000005 -0.00000274 -0.00000030 Cu 8.95883815 10.45100416 39.17771022 0.00000006 -0.00000333 -0.00000041 Cu 7.67986247 8.36231950 38.43624071 0.00000004 -0.00000274 -0.00000030 Cu 11.51830544 10.45120557 39.17646137 0.00000006 -0.00000332 -0.00000041 Cu 7.68131146 6.27380837 39.90966856 0.00000007 -0.00000389 -0.00000046 Cu 11.52056576 8.36183981 40.65554153 0.00000008 -0.00000446 -0.00000053 Cu 10.24001651 6.27324647 39.91052030 0.00000007 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