864 Lattice="15.336976883726999 0.0 0.0 15.336976883727 18.783883780995996 0.0 0.0 0.0 70.83846185899881" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2997.210837706792 stress="0.0029727992250575307 -2.295571708393676e-07 -5.471756262165593e-07 -2.295571708393676e-07 0.0026434722675131193 2.872161139704386e-06 -5.471756262165593e-07 2.872161139704386e-06 3.826904937476024e-07" free_energy=-2997.210837706792 pbc="T T F" Cu 0.00130948 -0.00685391 17.82617836 -0.00000190 0.00000948 0.00000119 Cu 3.83555353 2.09761920 18.45906110 -0.00000184 0.00000935 0.00000123 Cu 2.55747229 -0.00685394 17.82617837 -0.00000173 0.00000947 0.00000139 Cu 6.39171633 2.09761928 18.45906104 -0.00000179 0.00000943 0.00000138 Cu 17.89444843 16.70880957 19.16217232 -0.00000171 0.00000949 0.00000127 Cu 6.39171501 0.01647166 19.98133021 -0.00000144 0.00000924 0.00000134 Cu 20.45061123 16.70880963 19.16217228 -0.00000185 0.00000930 0.00000115 Cu 8.94787786 0.01647173 19.98133019 -0.00000209 0.00000905 0.00000094 Cu 20.45060987 14.61651929 20.65873077 -0.00000186 0.00000902 0.00000093 Cu 24.28485313 16.69744587 21.38257717 -0.00000197 0.00000867 0.00000098 Cu 23.00677267 14.61651935 20.65873069 -0.00000160 0.00000934 0.00000129 Cu 26.84101591 16.69744585 21.38257717 -0.00000141 0.00000894 0.00000112 Cu 23.00677012 12.52274140 22.16226751 -0.00000175 0.00000872 0.00000194 Cu 26.84101299 14.61268686 22.87165751 -0.00000114 0.00000819 0.00000123 Cu 10.22595603 12.52274144 22.16226751 -0.00000150 0.00000842 0.00000144 Cu 14.06019898 14.61268678 22.87165757 -0.00000204 0.00000834 0.00000113 Cu 10.22595295 10.43534807 23.60787488 -0.00000130 0.00000812 0.00000070 Cu 14.06019509 12.52369006 24.36472823 -0.00000195 0.00000771 0.00000076 Cu 12.78211579 10.43534801 23.60787490 -0.00000176 0.00000843 0.00000096 Cu 16.61635785 12.52369000 24.36472829 -0.00000099 0.00000768 0.00000046 Cu 12.78211170 8.35019777 25.08852186 -0.00000179 0.00000725 0.00000140 Cu 16.61635357 10.43611366 25.82674756 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30.25706811 -0.00000109 0.00000374 -0.00000018 Cu 7.66976355 0.00126026 30.99661391 -0.00000098 0.00000315 0.00000033 Cu 11.50400448 2.08841531 31.73294246 -0.00000102 0.00000233 0.00000026 Cu 10.22592633 0.00126026 30.99661386 -0.00000028 0.00000357 0.00000100 Cu 14.06016724 2.08841523 31.73294247 -0.00000001 0.00000282 0.00000075 Cu 25.56289659 16.69801363 32.47105610 -0.00000039 0.00000242 0.00000067 Cu 14.06016044 0.00134257 33.20975885 0.00000028 0.00000156 0.00000011 Cu 28.11905940 16.69801361 32.47105616 -0.00000045 0.00000205 0.00000006 Cu 1.27934644 0.00134254 33.20975889 -0.00000090 0.00000141 -0.00000023 Cu 12.78207561 14.61104703 33.94700819 0.00000009 0.00000080 -0.00000007 Cu 16.61631640 16.69812374 34.68477160 -0.00000059 0.00000025 -0.00000002 Cu 15.33823845 14.61104696 33.94700820 -0.00000047 0.00000121 0.00000039 Cu 19.17247916 16.69812376 34.68477158 0.00000043 0.00000023 -0.00000001 Cu 15.33823145 12.52402555 35.42324750 -0.00000056 -0.00000016 0.00000041 Cu 19.17247216 14.61110235 36.16101091 0.00000057 -0.00000114 -0.00000038 Cu 17.89439420 12.52402556 35.42324752 0.00000066 -0.00000041 0.00000009 Cu 21.72863502 14.61110238 36.16101086 -0.00000023 -0.00000083 0.00000007 Cu 17.89438722 10.43692296 36.89826025 0.00000110 -0.00000137 -0.00000042 Cu 21.72862808 12.52413580 37.63696287 0.00000022 -0.00000190 -0.00000011 Cu 20.45055012 10.43692300 36.89826022 -0.00000047 -0.00000138 -0.00000037 Cu 24.28479087 12.52413586 37.63696289 0.00000061 -0.00000245 -0.00000083 Cu 20.45054329 8.34985035 38.37507652 -0.00000022 -0.00000286 -0.00000012 Cu 8.94780731 10.43700545 39.11140508 0.00000060 -0.00000374 -0.00000077 Cu 7.66972914 8.34985038 38.37507649 0.00000129 -0.00000272 0.00000010 Cu 11.50397012 10.43700540 39.11140505 0.00000068 -0.00000311 0.00000007 Cu 7.66972264 6.26297915 39.85095088 0.00000132 -0.00000360 -0.00000054 Cu 11.50396372 8.34984641 40.58935161 0.00000109 -0.00000420 -0.00000048 Cu 10.22588552 6.26297917 39.85095090 0.00000017 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