108 Lattice="10.31675843511168 0.0 0.0 0.0 10.31675843511168 0.0 0.0 0.0 10.31675843511168" Properties=species:S:1:pos:R:3:forces:R:3 energy=-330.2083547194766 stress="-61448.93999946851 -30791.919259705675 14865.69133771662 -30791.919259705675 -80382.69311830867 8615.12140964683 14865.69133771662 8615.12140964683 -28774.066575180936" pbc="F F F" Ni -0.00825081 -0.01292527 0.02683663 0.87525763 -92.80039837 -91.07516442 Ni 1.69171098 1.75783319 0.01160244 0.27333653 -0.23945951 -0.15964924 Ni 1.73532707 -0.01948129 1.70916560 -4789.33027743 -4847.66723362 -45.79742022 Ni -0.00967353 1.73569617 1.73472492 -0.34788468 -0.17035096 -0.21615131 Ni 3.42735057 0.00848964 0.04340830 -0.08252827 0.25780554 -0.30034777 Ni 5.22143947 1.75707080 0.01050546 -0.25536411 -0.12499720 -0.64814500 Ni 5.16955998 0.01407160 1.69329510 22.72540240 -1465.15376137 -1486.42814381 Ni 3.48040126 1.71784694 1.69024111 -0.81105962 0.18543108 0.22658616 Ni 6.85892912 0.05015994 0.04650028 0.08362625 -0.15341011 -0.28073011 Ni 8.61875433 1.72412351 -0.00641280 8.73469072 -2054.58213547 -2070.07717073 Ni 8.56385454 0.01273712 1.68540269 -5191.45086297 5164.39126161 85.64376113 Ni 6.87111956 1.69598141 1.75974221 0.27028713 29.30929620 28.10918547 Ni 0.00234465 3.39854889 -0.00010097 367.51417504 4.70339117 368.01161016 Ni 1.72964456 5.17198414 0.01462394 -0.08074824 -0.20085094 -0.57430687 Ni 1.68032104 3.46671937 1.74682926 0.62060872 -0.35457011 -0.58478608 Ni 0.02436209 5.14040004 1.76997739 -1.07411881 0.31215457 -0.83327568 Ni 3.46463235 3.43549850 -0.00343824 -0.35644230 0.06298263 -0.42960522 Ni 5.17402725 5.18975218 0.01459520 -3482.93244588 280.71904157 -3681.19186481 Ni 5.13610069 3.42257042 1.74166938 9980.98706935 -316.73956398 -39.64179369 Ni 3.47441504 5.18268636 1.70354438 2434.23998503 -21.40235762 2449.96619145 Ni 6.86869174 3.48256907 0.02999572 3776.73644080 46.72861466 -3710.89542675 Ni 8.57175422 5.12503384 -0.02467168 -1239.91950311 1262.03033877 3.32444954 Ni 8.55369827 3.41716507 1.71112726 0.96440423 -0.05895130 0.01917537 Ni 6.89484148 5.17692262 1.75592749 -0.48393648 0.32121899 -0.54057221 Ni 0.01084997 6.89693928 -0.02565573 0.37504415 -0.18282942 0.51934871 Ni 1.76054264 8.59148211 0.02042127 -9.60522344 -338.39652152 340.62319833 Ni 1.71613542 6.82524991 1.71463143 -2.73477581 271.13669445 -275.91994749 Ni -0.01671179 8.56825808 1.76916030 0.10529667 25.75008204 -26.27087332 Ni 3.43911946 6.90651027 0.00366606 -0.03789983 -0.09206939 -0.38972681 Ni 5.17925666 8.57692264 -0.01638719 1239.64061173 -1261.52062214 -2.95427997 Ni 5.15424119 6.92503262 1.72319429 4516.32358380 120.84873048 -4485.36057424 Ni 3.43924206 8.62449688 1.76022734 -0.03495170 6.45206507 -6.42541380 Ni 6.86547861 6.90335287 -0.00134922 -1079.62198416 1.43048047 1079.03106000 Ni 8.57804243 8.62314328 0.02115492 -217.66018522 -219.53856473 0.17283275 Ni 8.59497150 6.90765439 1.76638552 -2016.13735784 -3.90567776 2011.26241034 Ni 6.85028438 8.59256073 1.73509239 -1482.40515090 3524.20489456 -2066.23729288 Ni 0.00315152 0.01205816 3.40471230 -4589.52162874 -4606.43865985 -19.71785344 Ni 1.72587342 1.69889682 3.40485315 0.01118040 0.12178339 0.33164861 Ni 1.71603714 -0.02587871 5.17967988 -116.55229913 -111.95091369 -4.64158325 Ni -0.01734527 1.65910973 5.17082251 -0.03375067 0.52283034 -0.01603114 Ni 3.46405103 -0.02506982 3.43204971 -0.43080461 -0.49663334 -0.10190806 Ni 5.15607526 1.69626048 3.43691658 0.23318554 0.20613510 -0.08812227 Ni 5.15006385 -0.01715297 5.16852648 6833.62990364 -14.69805673 6759.08468882 Ni 3.47620027 1.72149262 5.10428236 -5343.58873459 -5379.00283879 -46.98795003 Ni 6.87153399 -0.01366739 3.42468868 0.27672275 -0.41911291 0.21760498 Ni 8.62442945 1.71754579 3.43450370 0.07665537 -0.07282407 -0.06479702 Ni 8.61368339 -0.00864060 5.13995837 -0.32410256 0.35492311 0.16461474 Ni 6.88230699 1.71617572 5.16719040 0.08723981 0.09679543 -0.17188746 Ni -0.01851642 3.43818207 3.40954243 -0.76912422 93.13353641 92.39401700 Ni 1.66524945 5.18476551 3.44763941 10.45765603 337.70890432 -340.26253207 Ni 1.75254515 3.44180176 5.16685409 -23.41349409 1228.43092313 1754.16334061 Ni 0.03226652 5.15571295 5.18980671 36.25637302 1104.12189129 -1054.07009380 Ni 3.41820745 3.43962405 3.41944441 445.07538917 4555.05498395 3361.82816173 Ni 5.14382695 5.15561473 3.41581410 0.13254789 0.32353876 0.29750988 Ni 5.11669453 3.40732764 5.13892242 88.66223336 1576.43115241 1485.45198958 Ni 3.42702790 5.17697354 5.14406648 435.84049399 -1078.36832748 613.89044423 Ni 6.86358153 3.43272637 3.37857664 -0.12879054 -0.27589645 0.78902913 Ni 8.60410789 5.13248819 3.42735593 3692.13703348 1993.23798811 5751.23949789 Ni 8.59331564 3.48196919 5.12864075 4254.47088640 -4249.23811668 -67.17427719 Ni 6.88462707 5.15292852 5.13484959 2942.86501585 1832.90015844 1069.60110593 Ni 0.03214679 6.87815980 3.42331164 -0.73087297 0.29664135 0.24686487 Ni 1.76159499 8.62968934 3.41992319 -0.56155548 0.21408875 0.07773279 Ni 1.72289647 6.83275640 5.13092989 -4516.34352470 -120.82100028 4485.60481951 Ni 0.00454392 8.59436962 5.21959853 -1069.53322431 1067.74962840 23.13048887 Ni 3.44226058 6.90882180 3.41978873 1079.74241142 -2.29538588 -1079.20867504 Ni 5.19020457 8.58857441 3.43659028 -4492.04260275 -39.77838286 -4553.46535316 Ni 5.16980790 6.90128954 5.18296115 -2236.84910488 4252.07622595 -1944.93107331 Ni 3.41054167 8.55363617 5.13957969 1447.63142789 17.12478515 -1432.15402919 Ni 6.88935220 6.88967438 3.43400054 -0.23760514 -0.28524409 0.31363925 Ni 8.59678792 8.62103023 3.41635312 -0.03270361 0.07889358 0.16761857 Ni 8.62729127 6.90449527 5.12719815 0.28908482 -0.23377686 0.39344316 Ni 6.90583550 8.59148828 5.14400825 -0.00254465 0.57241159 0.25772538 Ni 0.01487688 0.00731810 6.93426101 0.13590902 0.03486772 -0.37060792 Ni 1.67990775 1.71690897 6.89525190 0.57893188 0.10827918 -0.50432196 Ni 1.70996854 -0.02761043 8.59871134 0.18323374 0.35769503 -0.11782894 Ni 0.00991268 1.70193636 8.57938925 -7.19427240 -1129.87677619 1109.02775131 Ni 3.41357600 0.01152609 6.92705945 -0.01484839 -0.27272449 -0.48887566 Ni 5.16273505 1.77588859 6.90019247 0.03009350 -0.86664302 -0.48576673 Ni 5.13226690 0.03553604 8.59450841 2064.42965792 2019.18884733 12.93427248 Ni 3.43740524 1.71999813 8.58493889 -0.25850280 -0.07071038 0.73675008 Ni 6.85359570 -0.00389637 6.91544640 4895.57454312 -4972.78499908 0.40272779 Ni 8.59346968 1.77241049 6.86425831 0.26626038 -0.12671371 -0.14162211 Ni 8.58808156 -0.02417750 8.56893460 -6833.68705062 14.40427058 -6759.01790301 Ni 6.84574798 1.70305732 8.55039968 -1.77472599 2.56498563 0.79414575 Ni 0.01349997 3.46527596 6.88192766 -0.48915027 -0.46814193 -0.09423900 Ni 1.71938725 5.16038542 6.88132597 0.06557472 0.06517176 0.21499969 Ni 1.71810510 3.38747528 8.62628846 -0.02868876 0.40781948 0.27756018 Ni -0.00131402 5.15368155 8.55982955 547.00791964 -82.90903060 -632.51521445 Ni 3.45894834 3.44391670 6.91480797 -4896.06403048 4971.99941789 -1.54192697 Ni 5.14991066 5.20094582 6.86847203 0.25551937 -0.23145508 -0.04520003 Ni 5.13287367 3.45554471 8.58485987 0.51331684 -0.04685870 0.94198498 Ni 3.46720863 5.15389774 8.58751124 -27.91282548 -1.73432978 -28.37544178 Ni 6.85049400 3.46134981 6.86173281 0.70971051 -0.42880289 0.09411945 Ni 8.60562386 5.13937663 6.90640231 0.28192599 0.28100423 -0.13449111 Ni 8.58399313 3.42124218 8.60609501 -2058.83680406 -2019.12449201 -7.13432378 Ni 6.87631572 5.15929354 8.61046239 -0.05981994 0.12693470 0.28940371 Ni 0.01776751 6.86886771 6.91597135 -0.59132145 -0.07700495 -0.42927984 Ni 1.68279387 8.60746532 6.82324103 0.60083183 0.21364531 0.33337788 Ni 1.69287088 6.88786145 8.56471284 26.44016568 -1499.58876194 -1477.76158588 Ni 0.06326226 8.56250813 8.59966347 0.26730169 -0.19522580 -0.35290092 Ni 3.42495449 6.86634243 6.88449340 -0.64148697 0.76182637 -0.00292331 Ni 5.20277175 8.54649879 6.90119058 -0.42561722 0.86395030 -0.21718633 Ni 5.16368398 6.91154940 8.62267737 0.00246154 -0.42385622 0.42081182 Ni 3.41349879 8.57261530 8.60179709 86.92981612 87.05632929 0.72025158 Ni 6.88638465 6.86941858 6.86048927 0.44258152 -0.28468366 0.11087184 Ni 8.58811289 8.61943425 6.88143502 4491.58757961 40.41424115 4553.70772910 Ni 8.59788556 6.86643514 8.62194745 -0.31102573 -0.14620426 -0.43894946 Ni 6.87769176 8.54294535 8.57504390 0.10074345 -1.13507860 -1.10313454