108 Lattice="10.553039749379584 0.0 0.0 0.0 10.553039749379584 0.0 0.0 0.0 10.553039749379584" Properties=species:S:1:pos:R:3:forces:R:3 energy=-311.9061914366412 stress="-0.0053856409255725185 -0.00016164635560400869 0.0010034025834427581 -0.00016164635560400869 -0.00767916696350154 -0.0006039021352877252 0.0010034025834427581 -0.0006039021352877252 -0.00784489345379116" free_energy=-311.9061914366412 pbc="F F F" Cu 0.00516581 0.00758306 0.02859701 0.19470832 0.23266340 0.19956663 Cu 1.75370351 1.72847128 0.03496696 0.10399687 0.46168778 -1.06500125 Ni 1.77957191 0.01869598 1.74961192 0.12050764 -0.41293919 0.58106385 Ni 0.02848226 1.80246263 1.75217468 -0.55841289 -0.08191239 0.40914888 Ni 3.48359534 0.02325758 0.01981957 0.31179682 0.00527661 0.16284954 Cu 5.28685291 1.77685563 0.03383437 -0.35888639 -0.01920037 -1.05202498 Ni 5.28132691 0.00528366 1.74712510 -0.12557433 -0.47946904 0.25707464 Ni 3.48302045 1.73474381 1.75362660 0.61254502 0.10499630 0.37294943 Ni 7.01840101 0.06303316 0.05228431 -0.19739871 -0.15883629 -0.18095205 Ni 8.79955763 1.74432421 0.03349347 -0.20508912 0.41339343 -0.06196996 Cu 8.76721136 0.03104265 1.75176068 0.24743088 -0.14296651 0.33653703 Cu 7.01584220 1.78371508 1.73238350 0.43624511 -0.05172624 0.57896187 Ni 0.03512828 3.48632042 0.01386407 0.14029690 0.24649919 0.08623134 Ni 1.78468623 5.25602467 0.00382190 -0.28216190 0.16304799 -0.42609645 Cu 1.78114889 3.48901515 1.77161212 0.13359542 0.38768548 -0.16098735 Ni 0.03224879 5.24945909 1.73218284 -0.23012673 0.01696647 0.09909169 Cu 3.53335627 3.54694818 0.00757592 -0.26360020 -0.44537629 -0.78188336 Ni 5.25121461 5.27362927 0.03460848 0.19385045 -0.14201879 -0.51536968 Ni 5.28028121 3.50043654 1.73574533 -0.05289182 0.34173038 0.35346745 Cu 3.48963822 5.24791053 1.76789960 0.15159112 0.30468137 0.24767900 Ni 7.06804215 3.49052197 0.03322324 -0.35750923 0.42691454 -0.66438560 Ni 8.74470589 5.27106312 0.00976101 0.06522498 0.05050730 0.07118572 Cu 8.82669850 3.55820212 1.74243077 0.60173083 -0.15557099 0.39246510 Cu 7.01503246 5.28004580 1.75830196 0.17562233 0.03646277 0.23584071 Ni 0.01255436 7.06214518 0.00982181 0.32123416 -0.33525795 0.27602441 Ni 1.76194228 8.82739790 0.02954663 0.15096566 -0.35894595 0.08378479 Cu 1.75768474 7.03012868 1.75014134 0.13120359 0.04575557 0.12491412 Ni 0.00610968 8.82145782 1.74509596 0.35890731 -0.33627993 0.28320643 Ni 3.51106348 7.02827577 0.01393349 -0.04129674 -0.10414890 -0.43983144 Ni 5.24180592 8.81522965 0.03045462 0.11342260 -0.36729658 0.17364766 Cu 5.22369697 7.00697213 1.74937309 0.17705855 0.21444030 0.28079718 Cu 3.48588921 8.82090209 1.76606203 0.34225112 0.48225834 0.05210683 Cu 7.05725582 7.00640332 0.01545215 -0.47174561 0.29037936 -0.60479819 Cu 8.79294124 8.79941292 0.02228257 -0.33781458 -0.23378950 0.18405227 Ni 8.78218204 7.05351250 1.75536663 0.21340580 -0.38547635 0.27622241 Ni 7.00149722 8.77287184 1.77315878 -0.20756692 0.23066929 0.09871685 Cu 0.00297975 0.00055569 3.50674558 -0.15141586 -0.22614751 -0.04757931 Ni 1.74403686 1.74117938 3.50583532 0.22423106 0.13281575 0.21486735 Cu 1.73180082 0.02901090 5.31344427 0.44700243 -0.78879350 -0.29099565 Ni 0.00834244 1.72375825 5.28290042 -0.34127140 0.60160036 -0.14914230 Ni 3.56093764 0.03102719 3.50092917 -0.28277002 -0.40825361 0.05953560 Cu 5.30705591 1.76701148 3.50707794 -0.08776693 0.16345781 0.17576917 Ni 5.29612164 0.02268060 5.24897105 0.05364082 -0.51502099 0.08366929 Cu 3.54482052 1.75663179 5.25624634 -0.22684444 0.23914906 0.09879634 Ni 7.05115271 0.02272873 3.48905762 -0.30354975 -0.27288704 0.27992829 Ni 8.78629112 1.79236960 3.54323298 0.17693737 0.20310186 -0.14708946 Cu 8.79726186 0.03651117 5.31442226 0.09426495 -0.20333800 -0.21679803 Cu 7.05772628 1.78476296 5.30607937 -0.32704022 -0.14289512 -0.25262227 Ni 0.02772283 3.54442447 3.49421407 -0.34158917 -0.28199849 0.13311016 Ni 1.75780242 5.29397677 3.53684254 0.30548851 -0.41971065 -0.23447860 Cu 1.72994067 3.53807117 5.30465901 0.41653666 -0.53243714 -0.38135492 Cu 0.00364764 5.24297652 5.26965152 -0.84526607 0.30298692 0.07093626 Cu 3.54159080 3.51351232 3.48757874 -0.21991735 -0.08771894 0.33713697 Cu 5.29811717 5.24041284 3.50716711 -0.34386161 0.38304912 0.10489676 Cu 5.24253138 3.52855584 5.26409305 0.28255118 -0.23435299 0.13053630 Ni 3.48608713 5.25291165 5.29521963 0.27316353 0.08403250 -0.34511109 Ni 7.04699944 3.50755481 3.52044988 -0.04645507 0.16834372 0.07039494 Cu 8.80028412 5.29651243 3.54762717 0.68810057 0.11074577 -0.44987446 Ni 8.80373755 3.55101034 5.27670470 0.19597549 -0.26031428 0.19306615 Ni 7.06727484 5.27194426 5.25916117 -0.38619879 -0.29844042 0.33169975 Cu 0.02225141 7.01076642 3.51865219 -0.74989277 0.18881035 -0.11409751 Ni 1.78180254 8.81289727 3.47298679 -0.23661046 0.33956316 0.30449681 Cu 1.76272318 7.02520601 5.24181332 -0.15551202 0.11524767 0.40766191 Cu 0.00977039 8.76449405 5.29268083 -0.01117613 0.02030304 -0.19972215 Cu 3.52628305 7.06376432 3.51957240 0.09588503 -0.54348354 -0.25621030 Ni 5.29518419 8.78527866 3.54101696 -0.31051470 0.55400417 -0.35610268 Cu 5.30442365 7.06214246 5.24306389 -0.26893982 -0.52118684 0.44818864 Ni 3.48781244 8.76067947 5.24935578 0.18017304 0.59100364 0.03360027 Cu 7.01043838 7.04262285 3.50117949 0.27639134 -0.12573957 0.06214833 Cu 8.82591623 8.80750413 3.53306900 -0.22073158 -0.18114991 0.08211188 Cu 8.77478631 7.02022513 5.30655053 0.61775061 0.28740691 -0.36655210 Cu 7.01323502 8.82633215 5.26779278 0.27149432 0.34468816 0.08802479 Ni 0.00342532 0.01943215 7.04636549 0.16705257 0.09084315 -0.31828487 Cu 1.78641646 1.78053256 7.04407747 -0.17149033 -0.04464752 -0.29664935 Ni 1.73792172 0.05007087 8.79638521 0.36080619 -0.17107788 -0.27946352 Cu 0.00771989 1.74177863 8.75235766 -0.28479020 0.44382192 0.15394180 Ni 3.50379685 0.02027312 7.04110903 0.33833322 -0.58704028 -0.15855581 Cu 5.29504893 1.72616989 7.00626262 -0.22643565 0.43723625 0.24762042 Ni 5.30923959 0.02119723 8.81463516 -0.15705692 0.02755515 -0.34696314 Cu 3.50686692 1.73593285 8.78172727 0.35939529 0.24467194 0.76719952 Ni 7.06089462 0.02204097 7.06368876 -0.36523618 -0.44484052 -0.26375823 Ni 8.78645212 1.75937870 7.05962190 0.30091719 0.29398127 -0.36923299 Cu 8.81902747 0.02654334 8.82665715 -0.29079162 0.24250502 -0.21086146 Cu 7.04152680 1.74885301 8.80808734 -0.20665111 0.26278827 0.67274038 Cu 0.01646084 3.51605426 7.00864034 -0.79010341 -0.11525815 0.13332323 Cu 1.72837424 5.26553626 7.02624881 0.21429259 0.20204059 0.27861439 Ni 1.74232263 3.48498902 8.80031090 0.33162177 0.49810161 0.31959090 Ni 0.00276467 5.26662552 8.78989558 0.25860771 -0.04910079 -0.18303901 Ni 3.51580305 3.51634027 7.05655470 0.11294860 0.17067756 -0.16335591 Cu 5.28024913 5.27309831 7.02343479 -0.05088002 0.29718028 -0.16147118 Ni 5.25838184 3.56830022 8.81035960 0.11694218 -0.42363824 0.11623095 Ni 3.53761785 5.24393549 8.78238084 -0.32000239 -0.06889544 0.43702562 Ni 7.03863889 3.49838897 7.06762469 -0.09559754 0.35127389 -0.35715410 Ni 8.82717317 5.25463710 7.02670611 -0.08800593 0.06329261 0.03707685 Cu 8.79415372 3.48697605 8.76909166 0.29269250 0.10291835 0.43138446 Ni 7.01171346 5.22117897 8.80558998 0.07401819 0.36295734 0.16324952 Ni 0.00437060 6.99860840 7.04350970 -0.22266753 -0.10161184 -0.07637154 Cu 1.73332420 8.78617501 7.01793413 0.18907012 0.30720781 0.07965668 Cu 1.75873926 7.06096178 8.82185816 0.13512916 -0.19426996 0.32810319 Cu 0.01620694 8.82068366 8.81689496 0.36675644 -0.40817153 -0.39118602 Cu 3.49672917 7.01944992 7.06716485 0.14278563 0.13450879 -0.30180630 Cu 5.28117407 8.80610497 7.02010070 -0.02402641 0.28540401 -0.08247845 Cu 5.24238428 7.07237641 8.81726075 0.24970322 -0.31021975 0.37741748 Ni 3.53715582 8.81637314 8.77158676 -0.19879034 -0.10056752 -0.17934849 Ni 7.04878661 7.01294906 7.06249591 -0.33983168 -0.37685948 -0.04518185 Cu 8.74581025 8.74902720 7.03594559 0.17049920 0.23418623 -0.19655132 Ni 8.78527900 7.01386939 8.80511602 -0.39728236 -0.55420585 -0.28424253 Cu 7.03910435 8.81947085 8.79675209 -0.30171120 -0.13399332 -0.04434995