612 Lattice="15.337146661769507 0.0 0.0 7.668573330884753 13.282358630660093 0.0 0.0 0.0 70.96212425962405" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2134.9609510667824 stress="0.001978195796072468 -3.757365971830963e-07 -6.238013674233994e-07 -3.757365971830963e-07 0.001980890287437376 -2.2362694250480463e-06 -6.238013674233994e-07 -2.2362694250480463e-06 2.776184735182073e-10" free_energy=-2134.9609510667824 pbc="T T F" Cu 0.00398222 0.00405955 17.78090729 -0.00000207 -0.00000721 0.00000005 Cu 3.83826889 2.21778602 17.78090730 -0.00000220 -0.00000763 -0.00000025 Cu 2.56017333 0.00405954 17.78090730 -0.00000204 -0.00000703 -0.00000020 Cu 1.28207776 2.21778602 17.78090729 -0.00000190 -0.00000761 0.00000001 Cu 10.22874402 11.81059123 19.83430797 -0.00000148 -0.00000746 0.00000095 Cu 6.39445741 0.74195899 19.83430804 -0.00000227 -0.00000668 -0.00000023 Cu 12.78493520 11.81059121 19.83430801 -0.00000249 -0.00000713 0.00000028 Cu 3.83826626 0.74195903 19.83430803 -0.00000170 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0.00000631 0.00000031 Cu 19.17527129 11.07217542 42.78999644 -0.00000054 0.00000188 -0.00000145 Cu 17.89717555 8.85844855 42.78999638 0.00000228 0.00000856 -0.00000059 Cu 16.61907993 11.07217535 42.78999632 0.00000336 0.00000287 0.00000044 Cu 17.89716476 7.38259250 44.87712926 0.00000338 0.00000538 0.00000242 Cu 6.39430488 9.59631882 44.87712946 0.00000158 0.00000726 -0.00000070 Cu 5.11620943 7.38259249 44.87712940 -0.00000005 0.00000548 0.00000029 Cu 19.17526042 9.59631894 44.87712948 0.00000176 0.00000528 -0.00000092 Cu 5.11620099 5.90674444 46.96436803 0.00000124 0.00000756 0.00000021 Cu 8.95048771 8.12047108 46.96436811 0.00000047 0.00000451 -0.00000114 Cu 7.67239203 5.90674434 46.96436807 0.00000245 0.00000914 -0.00000042 Cu 6.39429642 8.12047103 46.96436801 0.00000322 0.00000521 0.00000044 Cu 7.67238628 4.43090606 49.04871483 0.00000314 0.00000685 0.00000136 Cu 11.50667303 6.64463242 49.04871494 0.00000186 0.00000804 -0.00000037 Cu 10.22857754 4.43090605 49.04871490 0.00000077 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10.22870641 10.33463799 28.18014755 -0.00000236 -0.00000393 0.00000051 Cu 8.95061075 12.54836445 28.18014763 -0.00000069 -0.00000419 -0.00000065 Cu 10.22869209 8.85876907 30.26726882 -0.00000125 -0.00000108 0.00000041 Cu 14.06297883 11.07249578 30.26726894 -0.00000240 -0.00000536 -0.00000143 Cu 12.78488314 8.85876895 30.26726890 -0.00000025 0.00000083 -0.00000074 Cu 11.50678751 11.07249574 30.26726884 0.00000090 -0.00000478 0.00000016 Cu 12.78486772 7.38289666 32.35438997 0.00000126 -0.00000197 0.00000295 Cu 16.61915451 9.59662297 32.35439022 -0.00000075 0.00000010 -0.00000089 Cu 15.34105904 7.38289664 32.35439012 -0.00000206 -0.00000157 0.00000058 Cu 14.06296336 9.59662309 32.35439022 -0.00000006 -0.00000182 -0.00000097 Cu 15.34104306 5.90702208 34.44151145 -0.00000078 0.00000171 0.00000037 Cu 19.17532980 8.12074884 34.44151157 -0.00000202 -0.00000331 -0.00000155 Cu 17.89723408 5.90702194 34.44151152 0.00000074 0.00000401 -0.00000078 Cu 16.61913844 8.12074878 34.44151145 0.00000197 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