256 Lattice="13.938008382093535 0.0 0.0 0.0 13.938008382093535 0.0 0.0 0.0 13.938008382093535" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1318.6037215801318 stress="-0.007370530227488605 6.236375754990823e-05 0.00020254086305425143 6.236375754990823e-05 -0.007751181187194162 2.81377027188951e-05 0.00020254086305425143 2.81377027188951e-05 -0.00739498159091217" free_energy=-1318.6037215801318 pbc="F F F" Ni 0.01133668 0.02276944 0.01571622 0.13716413 0.10589105 0.23805316 Ni 1.74332912 1.70719166 0.02472995 -0.17858807 0.13725507 -0.15732360 Ni 1.77081193 0.02344657 1.77398881 -0.23631267 -0.20785569 -0.29999913 Ni 0.02564540 1.76290038 1.75854649 -0.16158644 -0.20445177 -0.28459990 Ni 3.48635120 0.02929975 0.00619485 0.00177293 0.02130728 0.04907307 Ni 5.21123605 1.74785509 0.01326878 0.21592014 -0.09187862 -0.12245158 Ni 5.21257779 0.02908224 1.69839955 0.01007508 -0.10172208 0.20559309 Ni 3.48658176 1.72707571 1.70749539 0.10355206 -0.11098025 0.13306573 Ni 6.93588546 0.02635332 0.02045245 0.15988479 0.23150511 0.16434841 Ni 8.68654190 1.77672307 0.00577309 0.24607787 -0.41944043 0.02712234 Ni 8.70397002 0.01532258 1.73869215 -0.18388954 0.03510286 -0.13508008 Ni 6.97298286 1.77619105 1.76465866 0.13941362 -0.62147780 -0.46352999 Ni 10.44015742 0.01276663 0.01900606 0.01457231 0.14326083 0.06109577 Ni 12.19816204 1.72995766 0.03477623 -0.16797376 0.01882677 0.13549966 Ni 12.14676302 0.01931993 1.77135840 0.12554018 -0.08364661 -0.21647885 Ni 10.44352220 1.70741847 1.73239731 0.25642208 0.23770647 -0.19428412 Ni 0.02930525 3.49506072 0.02037611 0.16687480 -0.06708463 0.20369315 Ni 1.68081507 5.25687367 0.02809273 0.32848151 -0.17871320 -0.04336452 Ni 1.75751453 3.47563418 1.75367512 -0.31353515 0.19858287 -0.54050383 Ni 0.02760406 5.24524381 1.76312023 -0.16037394 -0.27434864 -0.24798258 Ni 3.48312552 3.45263599 0.00404269 -0.06280780 0.42535596 0.18416820 Ni 5.24804954 5.20261882 0.01693092 -0.15540124 0.08396018 0.14541971 Ni 5.25464249 3.45897483 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0.01225111 0.18219111 -0.17546013 0.10239761 Ni 5.24448499 8.71068121 0.00487774 -0.30930677 0.00971542 0.07443942 Ni 5.20866019 6.99627063 1.76227908 0.27964292 -0.42410579 -0.64113179 Ni 3.50299448 8.68634818 1.75962428 -0.19064229 0.29037665 -0.46168532 Ni 6.94589177 6.99833126 0.00860239 0.22105384 -0.23306662 0.15992885 Ni 8.73627323 8.72708757 0.01218882 -0.25372557 -0.23937387 0.11685538 Ni 8.69378684 6.98270950 1.76918280 0.11124861 -0.01761287 -0.71714557 Ni 6.95699318 8.72390737 1.73543126 0.18842892 -0.09082942 -0.33866041 Ni 10.48565830 7.00282196 0.00899386 -0.08783778 -0.29893029 0.15735809 Ni 12.17451559 8.68534669 0.01019938 -0.07261511 0.09561732 0.08926025 Ni 12.21028264 6.98165035 1.74496653 -0.16138450 -0.20664899 -0.13179595 Ni 10.48795162 8.74092259 1.77080168 -0.12624390 -0.54441461 -0.51308416 Ni 0.00222424 10.39844506 0.01493443 0.08541058 0.21247309 -0.00222995 Ni 1.71883815 12.20844503 0.01907897 0.12465741 -0.26515225 0.13315061 Ni 1.70858595 10.43871169 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0.01515032 3.45112772 0.11789330 0.16127432 0.11311650 Ni 1.72719705 1.75327344 3.47320459 0.07352051 -0.46892578 0.26091019 Ni 1.69160703 0.00252892 5.21563112 0.12524267 0.09914977 0.13800112 Ni 0.02958047 1.74121227 5.22612870 -0.21069101 -0.35871476 0.10491531 Ni 3.46063940 0.03566648 3.52337469 0.29132382 0.05310699 -0.08472189 Ni 5.25498470 1.73505273 3.46033506 -0.54696608 -0.41428433 0.25435571 Ni 5.23369377 0.00726738 5.22693187 -0.17544794 0.03875356 -0.03215823 Ni 3.51440687 1.76397775 5.25641673 -0.21857327 -0.53320046 -0.21391202 Ni 6.93869402 0.02779316 3.49155528 0.16360596 -0.14703794 -0.27288574 Ni 8.74330330 1.77342756 3.46747752 -0.31652953 -0.84805446 0.30524331 Ni 8.68024402 0.01647898 5.17613037 0.15762120 0.07877368 0.18417424 Ni 6.94394243 1.72323571 5.19618287 0.15368826 -0.16594791 0.28533445 Ni 10.45426432 0.02664820 3.47000994 0.11624186 -0.10059316 0.35923655 Ni 12.22376533 1.68644230 3.50607786 -0.18106751 0.20701411 -0.01044611 Ni 12.22982653 0.01792212 5.24908799 -0.32221097 0.12779282 -0.09401397 Ni 10.46948804 1.74368883 5.26013494 0.13763407 -0.31633545 -0.32660850 Ni 0.03698539 3.45239289 3.51408250 -0.24796756 0.43771295 -0.22478921 Ni 1.77167803 5.19537367 3.46112952 -0.61872709 0.26492248 0.39574855 Ni 1.70916449 3.45094492 5.20569302 0.27670251 0.47156117 0.29988754 Ni 0.00624497 5.19248348 5.25684838 0.21364571 0.29486303 -0.24008418 Ni 3.47593748 3.46546202 3.45501869 0.18791137 -0.02884513 0.29232271 Ni 5.19485131 5.21208733 3.49555387 0.38632037 0.19042774 0.02134956 Ni 5.19949724 3.48418236 5.19297078 0.19504170 -0.04283627 0.32316389 Ni 3.46939350 5.23209015 5.19777225 0.15281291 -0.21943830 0.39052105 Ni 6.99074159 3.45601087 3.53466619 -0.24268322 0.41421772 -0.41123633 Ni 8.68985570 5.21037053 3.45013128 0.08338385 0.14152008 0.56414679 Ni 8.70961470 3.45974831 5.20659826 0.13173781 0.42442596 0.33722245 Ni 6.93715835 5.19438373 5.23540002 0.35483914 0.34829132 -0.07677204 Ni 10.46555383 3.45109292 3.47651704 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