64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=8108.604881508473 stress="-0.14939501470257036 -0.06032809331176444 0.11705545731444537 -0.06032809331176444 -0.05245838378426736 0.12852637371818004 0.11705545731444537 0.12852637371818004 -0.004522430879619407" free_energy=8108.604881508473 pbc="F F F" Ni 34.70052465 35.38964298 35.25958994 -1772.02130786 -725.65695425 -463.30667917 Ni 36.51943627 36.14561235 35.71390375 3533.79585349 -2451.58372806 5988.25844504 Ni 36.97884644 37.08870702 34.73605716 1247.88347748 3023.43348577 -2417.89115931 Ni 38.76709415 38.36955984 35.56503615 -599.31435264 -518.02894847 -122.60186635 Ni 37.59251466 35.24999314 37.78517301 -39870.55421499 15285.77226558 1262.12793377 Ni 38.77979586 35.40365182 38.02705283 43906.65296115 -5583.81499331 -1910.58341668 Ni 34.66720016 37.61509163 37.46076881 -109.97194185 64.06403849 104.55255301 Ni 36.96170146 39.07636534 38.51402237 -3687.57104957 -3949.14072265 3141.46275707 Ni 40.31162478 35.54533596 35.00343989 -825.51201287 -861.05492408 -1443.09803391 Ni 41.20687991 36.47890107 36.56843784 1053.38903138 1107.84016900 1584.50528086 Ni 42.69410105 37.87290287 35.16283800 -1001.72666076 -709.78868823 -499.48963616 Ni 43.77911891 38.83363814 35.85918063 845.52060965 761.58859268 636.68655972 Ni 42.87129920 35.61568864 38.10512644 -3846.27823624 -1337.17788313 -3316.21930361 Ni 43.81740202 35.82461421 39.28807213 2568.29736707 906.38501594 3315.66861948 Ni 39.47503806 37.60585751 37.23093665 -1400.38694200 263.39505232 1074.78654807 Ni 40.98198288 38.35358004 39.10670439 -0.61352191 -0.50483055 -2.01115606 Ni 34.84742525 40.01782780 35.38851207 -212.01821168 -841.22343924 -385.90673912 Ni 36.14575737 40.88078096 36.18131739 2103.35929723 3.86004701 1620.50447041 Ni 37.23544699 42.27208315 34.94479467 1695.79295287 126.34124559 1460.63855444 Ni 38.61643991 43.32327578 36.40123177 -8590.55913469 5594.84697987 -5715.35070134 Ni 38.17617604 40.13333706 38.10978308 3991.08821119 -17152.14476292 29375.56684606 Ni 39.24098357 40.84838036 38.08017073 14689.96933180 30592.26852860 -33303.43021399 Ni 35.30609528 42.83814538 37.38025595 1.71253977 2.83570084 17.13754138 Ni 35.84425739 43.66229574 39.51752107 -14.23127124 73.65271124 -57.55920858 Ni 39.92881531 40.15280461 34.94320591 49.83010071 -33.62043922 -0.51050899 Ni 41.56261297 41.47313868 36.12634457 -31.02494675 0.62774302 9.10241795 Ni 42.40809764 42.90254976 35.17104575 -28.43487459 -2.61388175 -59.92811855 Ni 43.52966575 43.36456557 36.67005395 -350.28913377 263.96623618 -60.34050590 Ni 42.81603196 40.15522004 37.28228543 -21.33621429 -126.94263682 -120.03624621 Ni 43.51669870 41.29052688 38.49168135 40.59873449 8.49282811 6.97624627 Ni 39.66448343 42.68403127 37.11226018 6715.86456863 -6003.29772303 4335.87552812 Ni 41.19961669 43.43110689 38.79561080 127.73821425 498.03813274 -1047.30732616 Ni 35.43073765 35.50238460 39.12487138 528.45951564 -2006.98590419 -705.18574716 Ni 36.65873916 36.17989240 40.79040361 -1699.30748219 756.09986475 4906.57866379 Ni 37.43876649 37.99791377 39.63379584 -3470.72450932 -6131.10945787 -6298.46638168 Ni 38.55992947 38.07885798 41.64489409 -104.06766902 130.79476208 -1.86638811 Ni 37.21663348 34.88995277 42.80188354 89.23338730 59.67584028 -2.57639895 Ni 39.45504698 35.72116611 43.12053790 -124.53973208 -405.88031015 197.32195753 Ni 35.32550072 37.67193103 42.74762050 14.06935858 -250.87234442 -124.20854167 Ni 36.22364667 39.38316967 43.19420186 -770.30158007 27.91445458 339.90165514 Ni 39.82542651 35.22163307 39.92765192 -269.22966818 -181.08512873 -1565.36117063 Ni 41.48837336 36.00831489 41.43404765 -2387.25064630 3847.27843956 -1000.12810471 Ni 42.91450023 37.05336961 40.28334266 369.67406397 172.15760792 -5.07277378 Ni 43.77168201 38.48826607 41.14110341 58.73028040 151.01950271 68.34244283 Ni 42.20384740 34.85081933 42.03810700 2821.67165430 -3372.78378173 2780.68641036 Ni 43.39622758 35.80439661 44.00814638 -708.60591775 -358.71066509 -1087.03845082 Ni 39.71624470 37.22470266 42.33960036 126.00801746 302.92370575 -151.29167100 Ni 40.96741606 38.41026787 43.86780657 -21.58977272 32.69622304 -3.01744086 Ni 34.95775283 40.00891970 40.32322537 40.43682215 -18.05701439 63.58311236 Ni 36.06427233 42.10923323 40.50463225 56.34865164 -113.18679367 45.68091538 Ni 37.95234985 42.35457372 39.47872007 299.69027853 -491.25048408 -560.77995286 Ni 38.27820587 43.02381969 40.90160924 35.06611491 176.40826965 249.34730586 Ni 37.64820398 40.15286134 42.94830340 342.44150142 -126.36722633 -785.84371938 Ni 38.81736068 41.01542974 43.79745135 454.92309276 303.84164467 339.34699627 Ni 34.74760201 42.54931595 42.13153489 -3.24086873 4.19237345 19.80764997 Ni 36.59417720 44.04666645 42.98247250 5.26283343 -9.78326488 -15.33130428 Ni 39.44736839 39.48324831 40.53905723 -16008.09861015 -9955.71705878 -844.15736710 Ni 41.21553631 40.99304968 41.34140919 -27.22258973 21.95353142 -50.37892336 Ni 42.30896353 42.51942618 39.48937716 142.06585541 -725.35663285 1109.76511670 Ni 43.46890806 43.99676117 41.60789720 29.45168746 -95.90724230 51.35307802 Ni 42.26100653 40.36125795 42.63261111 -101.53415568 -178.40752279 -146.46128396 Ni 43.59439233 41.00899864 44.03174510 136.20785705 194.87928891 72.71937413 Ni 39.96818657 42.50614188 41.74660453 -36.56035332 -62.84356919 57.68122339 Ni 41.14870460 43.73838288 43.85302865 -27.11664062 21.65467539 36.77023700