256 Lattice="13.827069181426456 0.0 0.0 0.0 13.827069181426456 0.0 0.0 0.0 13.827069181426456" Properties=species:S:1:pos:R:3:forces:R:3 energy=-978.5376592874068 stress="-0.009477249982096671 0.0003133900613631862 -0.0004992731015608936 0.0003133900613631862 -0.009460776973649707 -5.5288463237109936e-05 -0.0004992731015608936 -5.5288463237109936e-05 -0.009485489213296755" free_energy=-978.5376592874068 pbc="F F F" Ni 0.01792722 0.02948486 0.00526469 0.63261865 0.48184874 0.54637101 Ni 1.71406947 1.76098941 0.01759959 0.38069608 -0.07750297 -0.20278004 Ni 1.76953927 0.00541429 1.72063195 -0.11885555 -0.06067209 0.21874955 Ni 0.03247842 1.69794822 1.70456550 -0.20168332 0.42653724 0.28187365 Ni 3.42664676 0.00042817 0.03125106 0.02572301 0.34490350 0.09316776 Ni 5.14707215 1.74953493 0.01890664 0.30457399 -0.21585107 -0.48575704 Ni 5.16251964 0.00734219 1.74013197 0.17523775 -0.51094280 -0.31018368 Ni 3.49067354 1.72879997 1.75024933 -0.80554527 0.27034444 -0.13202502 Ni 6.91923031 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6.90230110 0.01032247 0.29066742 0.13977551 -0.43978040 Ni 5.15895277 8.64679358 0.01544086 0.18691542 0.04706014 -0.22291331 Ni 5.18939640 6.88467012 1.70829497 -0.38223312 0.67100868 0.17760193 Ni 3.47393162 8.66917968 1.78955894 -0.34651675 -0.13774680 -0.40355758 Ni 6.88770839 6.89946368 0.02103176 0.25820764 0.40322620 -0.57979240 Ni 8.66224362 8.62837523 0.00167987 -0.04292407 0.32007793 -0.40483119 Ni 8.66923373 6.92738840 1.70571419 -0.30438216 -0.43222824 0.33291251 Ni 6.93263723 8.66074147 1.76088810 -0.22884965 -0.12181796 -0.59792659 Ni 10.37255392 6.90280261 0.00469261 0.26468818 -0.00763549 -0.41245138 Ni 12.07793964 8.61975992 0.02888937 -0.27829461 0.36698132 0.23032644 Ni 12.09195133 6.93346144 1.70802733 0.43672642 -0.29422145 0.14912074 Ni 10.34452550 8.61615250 1.74753168 0.31670373 0.70408437 -0.40340811 Ni 0.00743878 10.40253002 0.01455893 0.34464561 -0.38025994 0.33805836 Ni 1.71085738 12.08990549 0.00157141 0.30562899 -0.37259441 0.46952742 Ni 1.70211634 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0.02833282 0.02085945 3.42495977 0.23601235 0.12610892 -0.01841704 Ni 1.70304371 1.75100310 3.47885504 0.30636188 -0.04960816 -0.79579579 Ni 1.75734337 0.02363980 5.17144645 -0.21989774 -0.53755386 0.18312107 Ni 0.02511922 1.72827800 5.16199944 -0.41912802 -0.01465052 0.30153029 Ni 3.46633850 0.03139529 3.48388615 -0.28976547 -0.70041047 -0.29449176 Ni 5.17135782 1.70320849 3.42645445 0.14244688 0.49980692 0.46196284 Ni 5.15284376 0.00766998 5.21502162 0.16681401 -0.39158000 -0.18688103 Ni 3.42363993 1.76195257 5.15406570 0.31819235 -0.17044091 0.45095272 Ni 6.88221539 0.02310692 3.44131062 0.26059269 -0.55765565 0.12694672 Ni 8.67510778 1.70678281 3.43199666 -0.24024727 0.15164453 0.01110865 Ni 8.66830315 0.01342550 5.21115537 -0.17915963 -0.40604285 -0.48908971 Ni 6.88968357 1.71890807 5.15471436 0.16916063 0.01622737 0.20759809 Ni 10.39964523 0.00926816 3.44622212 -0.18511800 -0.39597217 0.03586149 Ni 12.08575974 1.72389827 3.47751564 0.26114832 0.36236420 -0.26940669 Ni 12.11995732 0.03042885 5.16504561 -0.37329689 0.19587492 0.12415966 Ni 10.34259516 1.74901024 5.20404341 0.25722398 -0.15122773 -0.37503602 Ni 0.01278237 3.46421351 3.48331643 -0.49409524 -0.09510540 -0.59919231 Ni 1.70658112 5.21588664 3.46695350 0.24899119 -0.39614328 -0.31942836 Ni 1.74452689 3.48532823 5.15925118 -0.30323378 -0.39978052 0.39786576 Ni 0.01116745 5.15065637 5.21165419 -0.64183572 0.33079548 -0.11412235 Ni 3.46930604 3.44731978 3.48842211 -0.07750361 0.14622225 -0.72379773 Ni 5.17662175 5.21672356 3.43276250 0.35094912 -0.62209786 0.37109110 Ni 5.16795018 3.46501097 5.19883002 0.19409327 0.10224468 -0.29064359 Ni 3.42377983 5.17616696 5.16033183 0.65429474 0.17332324 0.21170438 Ni 6.91336613 3.43579762 3.47144615 -0.29822343 0.21879762 -0.18795448 Ni 8.61875668 5.15455284 3.45178236 0.12958713 0.66761728 -0.14539707 Ni 8.61130400 3.42569110 5.16201793 0.22706293 0.12654282 0.55247290 Ni 6.94729459 5.20199211 5.20086206 -0.53461550 -0.43396304 -0.33250821 Ni 10.34164963 3.48899709 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0.08671131 0.61865751 Ni 6.94221824 5.20084308 12.11522400 -0.22415135 0.18445289 0.05193428 Ni 10.39152352 3.46919783 10.36909133 -0.17187487 -0.42013234 -0.09126986 Ni 12.10893531 5.15339197 10.37733854 0.26263936 0.23632219 -0.19447011 Ni 12.09370052 3.43691674 12.08491296 -0.27154211 -0.20876774 -0.20757241 Ni 10.40132974 5.18527654 12.06761300 -0.28782033 0.00555161 0.48409158 Ni 0.01607476 6.94125536 10.35397181 -0.41970941 -0.28147860 0.16041648 Ni 1.69385496 8.62841764 10.35756273 0.77830198 0.17727023 0.40277504 Ni 1.74185388 6.88893120 12.09453911 0.03643941 0.21333228 0.21046895 Ni 0.02355178 8.62951710 12.12813200 0.34335929 0.13015905 -0.34804843 Ni 3.46169020 6.89751118 10.36008703 -0.37123094 0.06560913 0.07027810 Ni 5.15504706 8.61718722 10.38508306 0.23653437 0.58138570 -0.40374533 Ni 5.15821802 6.93975227 12.10066488 0.23656254 -0.55406197 0.35553198 Ni 3.48722222 8.63349456 12.10485727 -0.71254456 0.25823308 0.24666006 Ni 6.88356499 6.92864055 10.34728229 0.11496656 -0.44020523 0.37595619 Ni 8.62620221 8.61605701 10.36890001 0.35751686 0.52672890 -0.26026094 Ni 8.64312289 6.94189803 12.10768826 0.23543992 -0.34165137 0.23727227 Ni 6.93909778 8.62604154 12.07465932 -0.25093007 0.34601646 0.45312203 Ni 10.37286482 6.90124256 10.35036005 0.04452022 0.24157058 0.06210272 Ni 12.10077538 8.64084696 10.34632018 0.22915722 0.12695274 0.30269415 Ni 12.08330157 6.91804703 12.07836584 -0.28267174 0.11409510 -0.29973924 Ni 10.34057806 8.67155921 12.09010897 0.33812878 -0.11035196 0.09322206 Ni 0.03388268 10.34665989 10.36168808 -0.27527963 0.28729731 0.22777971 Ni 1.75720356 12.06822116 10.34593772 -0.09368798 0.30961898 0.33044697 Ni 1.73328838 10.37935442 12.11008501 0.21321334 -0.18374601 -0.12516326 Ni 0.02662432 12.08337857 12.11930107 0.70910745 -0.70193154 -0.79676060 Ni 3.47469615 10.37923274 10.35733514 -0.15611297 -0.27158761 0.25690351 Ni 5.20676547 12.08682142 10.40108096 -0.23711929 0.41830090 -0.24565595 Ni 5.18808426 10.34694804 12.09150466 0.19693284 0.09992715 0.30150997 Ni 3.48928861 12.09491617 12.09322191 -0.24092473 -0.34834733 -0.26942448 Ni 6.90058880 10.39282065 10.33652161 0.11026763 -0.60957549 0.47435132 Ni 8.61292573 12.07299059 10.37664581 0.46855635 0.35067087 -0.08276245 Ni 8.66393070 10.36844193 12.07847419 -0.14841159 0.03056995 0.17137126 Ni 6.92787768 12.12826393 12.07910219 -0.05184147 -0.45904328 -0.12667205 Ni 10.40188314 10.35404935 10.32244904 -0.46378653 0.17465332 0.47833181 Ni 12.11496826 12.06937814 10.36122332 -0.43132604 -0.23385910 -0.03370154 Ni 12.07166689 10.39811997 12.12781435 -0.41718989 -0.32110238 -0.54946353 Ni 10.35736441 12.09432607 12.07886766 -0.09859485 -0.37322664 -0.48845263