108 Lattice="10.31675801496358 0.0 0.0 0.0 10.31675801496358 0.0 0.0 0.0 10.31675801496358" Properties=species:S:1:pos:R:3:forces:R:3 energy=-307.7070679684946 stress="-21.907021333021376 -40.148166077026296 -3.1144384333995503 -40.148166077026296 -35.36351461392858 63.44578087379873 -3.1144384333995503 63.44578087379873 -36.29237361969255" free_energy=-307.7070679684946 pbc="F F F" Ni 0.00434868 0.04851164 0.05467008 333.87318330 -1167.30739884 1514.65023016 Ni 1.69312374 1.69607930 0.05756247 0.55793201 0.39786736 -1.06323203 Ni 1.68254239 0.01179832 1.71071927 0.21341870 -1.18108108 0.31369330 Ni 0.00631940 1.73273296 1.68959381 -0.98179854 0.13610592 0.59255307 Ni 3.45885433 0.01386599 0.01929341 -341.87430171 0.34674381 341.91387945 Ni 5.18992605 1.67454586 0.01634209 1480.80573999 24.42499552 1468.17569896 Ni 5.18054483 0.01405517 1.76168274 1338.06346571 1325.82966233 -7.26243066 Ni 3.40278094 1.68323903 1.71872019 -19.19411631 0.76684829 20.11020648 Ni 6.84526184 0.04860907 0.05334764 0.28679015 -0.24124897 -0.19555789 Ni 8.62231785 1.76008831 0.01152338 -0.19462921 -0.24528424 0.15742607 Ni 8.58852056 0.02612776 1.72301722 -0.11116256 0.07833345 -0.01677564 Ni 6.86930499 1.68502388 1.70776127 -2.12686788 0.47558645 2.90545433 Ni 0.03436893 3.44613025 0.03724129 -0.22908302 0.23955101 -0.78330736 Ni 1.73472866 5.15235825 0.01700931 54.31702159 8369.51578585 -597.94972511 Ni 1.70027253 3.44129279 1.71960535 0.62104085 -0.33883275 0.14850342 Ni 0.02442389 5.13041930 1.68018550 -0.91198228 0.59075550 0.25473623 Ni 3.45843409 3.43111995 0.03289979 1217.44879414 5970.48471750 -4860.31256874 Ni 5.19648881 5.14282499 0.01772543 0.03335535 0.37302066 -0.57073887 Ni 5.10752068 3.41502714 1.71049669 9.24493229 383.08571962 383.82868227 Ni 3.39866371 5.16605335 1.68826395 0.66391924 0.42195509 0.68483524 Ni 6.86202581 3.37827841 0.03714043 4207.71230302 -111.08523502 -4196.62899302 Ni 8.62258925 5.15045621 0.03653790 -839.19940493 837.49702659 -2.27414812 Ni 8.61765666 3.42130723 1.74330369 3319.63833743 3360.45265674 -9200.95535427 Ni 6.88354174 5.11084343 1.73914651 -0.28771711 0.80307282 -0.20095281 Ni 0.03037465 6.93094222 0.02267975 -7.26706891 -0.35530097 -7.15592315 Ni 1.72450341 8.53203417 0.01656216 -4172.64812795 -8.74018089 -4208.91237249 Ni 1.68649195 6.88940744 1.72265895 0.68430738 -0.38481640 0.24365577 Ni 0.06395028 8.61355271 1.70915342 2.19791511 132.93691294 -131.53749490 Ni 3.44915082 6.88746861 0.00070381 -5782.10663248 8.35757652 5747.06004048 Ni 5.19799002 8.56340049 0.02075428 838.37897726 -835.68532228 3.46165988 Ni 5.16758470 6.91092187 1.67315900 -0.09138948 -0.87034259 0.84019646 Ni 3.44525396 8.59872736 1.73260865 -63.19598543 0.17176208 63.72978081 Ni 6.89041065 6.91682827 0.03390539 0.29012659 -0.45436428 -0.41940728 Ni 8.61758817 8.60723982 0.05305441 -0.59132351 -0.46994654 0.53577774 Ni 8.59864269 6.90631956 1.71320129 1534.98623603 31.89522591 -1537.17157159 Ni 6.83294135 8.61785406 1.74183655 0.71350583 0.53689515 -0.17739012 Ni 0.04091761 0.01727908 3.43678548 365.08323723 -0.84076418 -317.32124232 Ni 1.68398400 1.71062362 3.41457001 -66.04585921 -4514.39100533 4457.07205971 Ni 1.71673754 0.01686249 5.19453910 -2150.98617815 -2122.68508061 41.83544471 Ni 0.00698752 1.76007582 5.16271616 18.42258332 -0.87472171 -20.24886419 Ni 3.43233047 0.02436229 3.46586682 3681.84088722 -10066.19126119 3437.09756600 Ni 5.18152928 1.69361502 3.43898643 -1966.45936105 -6.15857971 -1964.38767162 Ni 5.21920605 0.01133714 5.16337623 -0.36070685 -0.86388031 0.21480741 Ni 3.47008823 1.69913479 5.13841454 1.84696596 0.39658495 -1.78145691 Ni 6.92049884 0.00443877 3.46766654 -0.07916827 0.55583751 0.85191418 Ni 8.62318666 1.73069433 3.42021139 -1553.08285230 6940.13956060 5581.54144019 Ni 8.57458572 0.01014870 5.17485951 -59.02794742 -4678.67721982 4706.59935452 Ni 6.86215077 1.73545449 5.10913442 0.25612770 0.00987626 0.67428840 Ni 0.02011641 3.45435620 3.40522095 -5234.99258162 5260.93110655 -92.86176886 Ni 1.72608639 5.11824664 3.43691678 0.07414479 -109.66039895 110.10509790 Ni 1.71390950 3.43586905 5.18524453 1472.17151162 -5265.98455353 -3721.26914193 Ni 0.00419272 5.17782082 5.11680830 -2.76829913 -132.92433034 132.21691534 Ni 3.43756891 3.46896412 3.45189143 -6684.99076573 3169.46589057 3592.28791931 Ni 5.13202791 5.17293186 3.48816137 -0.30656996 -0.01871394 -1.69200091 Ni 5.16138782 3.41497080 5.12699937 -2446.62501494 2113.86983829 4459.81493357 Ni 3.42695648 5.16486214 5.16621119 707.49482302 -2540.30940973 -3253.43920483 Ni 6.87707552 3.45350980 3.43157122 -5336.01315665 2774.67778266 8156.46733432 Ni 8.58674008 5.15415110 3.42346642 0.84457005 0.43413370 -0.02263118 Ni 8.56580815 3.44622634 5.15683903 1376.32403520 3.97631172 -1384.06169266 Ni 6.89761859 5.19316395 5.14212694 -0.41126580 -0.47876925 0.21233139 Ni 0.01989430 6.89248439 3.40950770 8822.37465660 -3055.11401621 -5709.94473598 Ni 1.72404905 8.56879018 3.43846254 12.06486358 -3853.57204709 -3860.24730518 Ni 1.75504076 6.82395913 5.11155559 -0.65156850 0.45404385 0.48446721 Ni 0.04729767 8.58322448 5.17051053 63.00312778 0.14427220 -63.80177977 Ni 3.40947253 6.86298937 3.47377851 -930.06887837 -4.44506056 -906.02070407 Ni 5.17578001 8.63079150 3.40611858 4172.72625811 119.94810600 4098.75077721 Ni 5.18327644 6.83481729 5.13396689 -1543.63189243 -414.08562453 1154.52414859 Ni 3.41636155 8.61547298 5.12067344 0.22142762 0.35205970 0.33588040 Ni 6.88285688 6.88301219 3.41328334 0.00731539 -0.03868743 -0.11452505 Ni 8.60892529 8.57838003 3.43882367 0.07607119 -1.54990442 -1.21969666 Ni 8.59707400 6.85679453 5.18001752 0.63202739 0.29859868 -0.23781072 Ni 6.90386133 8.61037084 5.15280960 -0.18086631 0.28760999 -0.01932828 Ni 0.03151528 0.04355501 6.87124861 -0.20200980 -0.21073972 0.05166058 Ni 1.67485142 1.66980150 6.83342194 1.16237145 0.83998765 0.83954665 Ni 1.72464888 0.02630507 8.60879339 -4333.31167338 -4288.15989807 13.81692098 Ni 0.00772133 1.69481454 8.62400489 14.70822157 14.80244014 -0.35848549 Ni 3.41234113 0.01500575 6.89734886 -23.07717983 -0.50672372 -24.07726090 Ni 5.17322078 1.69298169 6.89258290 -0.11481400 0.59209832 -0.37251459 Ni 5.21466998 0.05216170 8.57645203 -0.28769383 -0.23456090 0.20407530 Ni 3.46362808 1.69766155 8.60837293 -1548.37935860 -1557.06227137 -2.98646014 Ni 6.85484779 0.02158649 6.89183880 0.38186193 -0.63044066 -0.17984623 Ni 8.60386274 1.70513662 6.85728211 1967.03595064 6.72327884 1964.13245888 Ni 8.60532105 0.00090273 8.57770018 -0.57762762 0.47709452 -0.45067285 Ni 6.88729501 1.72669279 8.58037763 0.11286493 0.15043648 0.65186309 Ni 0.02168880 3.39505495 6.87597598 -564.75072548 -11.49722065 565.60069753 Ni 1.72946590 5.17825781 6.85999996 -0.39257693 -0.49455809 0.16626481 Ni 1.68556045 3.40990989 8.61631582 0.53480637 -0.23419412 0.07362331 Ni 0.02155224 5.13074991 8.59702525 -709.78027946 -6.93121905 714.94601168 Ni 3.47325068 3.45048420 6.86667653 5358.20776317 27.27521077 -5384.86156992 Ni 5.16963108 5.17884482 6.91050096 -7108.84214416 6926.13659289 -60.61194238 Ni 5.15796527 3.43598415 8.58562879 2907.47428011 2824.56556057 -152.09154479 Ni 3.40725475 5.12734143 8.58442279 -551.77134486 528.64586266 0.71514666 Ni 6.91933837 3.43122473 6.87048949 -0.86487042 -1.31164686 -1.33995430 Ni 8.58787736 5.12884068 6.86005981 73.79000374 -6964.17915029 -7048.97812614 Ni 8.57601547 3.43900896 8.61183705 -0.03799371 -0.09293316 -0.05340391 Ni 6.87502804 5.12987728 8.61513913 1547.94511310 1557.92118995 3.25194481 Ni 0.00896170 6.86467405 6.86405537 -0.45523444 -0.20443356 -0.01601028 Ni 1.70609839 8.55338394 6.88120125 7109.00331328 -6925.28626551 59.97559672 Ni 1.74554826 6.86023078 8.60088067 -1421.44388569 6725.35953812 5244.95726496 Ni 0.00399722 8.56817892 8.58446715 537.84272106 -543.92034462 -0.56813350 Ni 3.38784085 6.85539665 6.84779757 0.71874909 0.11720453 -0.02571243 Ni 5.14435846 8.61495064 6.83053943 0.10127220 -0.00921910 0.07563979 Ni 5.10284771 6.87628180 8.58621667 0.42629857 -0.02841716 0.26354124 Ni 3.43052751 8.59089763 8.58074267 2.80543523 2547.19126818 2538.48735060 Ni 6.87704012 6.87906190 6.84761323 914.29305139 -2798.63723531 -1859.06903969 Ni 8.57754595 8.59718572 6.86894806 -0.14538857 -0.10754487 -0.17694200 Ni 8.58276933 6.91190947 8.55510942 -0.23053668 -0.43870012 -0.16040427 Ni 6.87570901 8.55908572 8.57100271 -0.38015211 -0.15705341 -0.24576910