Number of particles = 106 H0(1,1) = 11.846865085 A H0(1,2) = 0.040190097 A H0(1,3) = 11.848444331 A H0(2,1) = 11.845771375 A H0(2,2) = 11.845968521 A H0(2,3) = 0.041291003 A H0(3,1) = 0.040408716 A H0(3,2) = 11.846847538 A H0(3,3) = 11.848230297 A .NO_VELOCITY. entry_count = 6 auxiliary[0] = fx [eV/A] auxiliary[1] = fy [eV/A] auxiliary[2] = fz [eV/A] 65.390000 Zn 0.0459687657143028 0.0452696685874177 0.0455369616325284 0.010825 -0.006236 -0.008042 0.865127717147786 0.0455077701974399 0.0481087325621888 0.019106 -0.058425 0.042605 0.0480467898872189 0.86497167249631 0.0455219660062346 0.045664 0.006467 -0.060107 0.0454843619716514 0.0481636849706328 0.864835683096211 -0.058763 0.04685 0.031142 0.457662059191486 0.637175230622614 0.454288685312147 -0.021701 -0.00788 -0.007495 0.454427068655077 0.457510300060938 0.63727366248783 -0.039034 -0.023368 -0.037166 0.637116676334843 0.454209677809508 0.457839155633168 -0.007722 -0.010447 -0.011459 0.456973006403652 0.456926089980622 0.456843233176771 0.025886 0.033163 0.031182 16.000000 O 0.000672335125568403 0.00043370096150995 0.000430947628230767 0.007471 0.004976 -0.015687 0.158975963502835 0.940947984099411 0.0643057605512781 0.007352 0.027921 -0.00013 0.941341122422691 0.06445618566763 0.158517399380182 0.047452 0.004366 0.014737 0.064648021894378 0.158545756757163 0.9410548848785 -0.019346 0.025936 0.050054 0.834543971313152 0.0691254013439647 0.944263208641629 0.010988 0.018164 -0.05379 0.840804838763601 0.157114790658047 0.0666346979752356 -0.058616 0.014236 -0.051475 0.840582169244123 0.937883864767687 0.158099796311379 0.050495 0.002109 -0.017876 0.0670686879193283 0.840358502676638 0.156936613550662 -0.047404 -0.056614 0.009104 0.944187123875047 0.834485073174362 0.069122111786346 -0.058452 -0.005055 0.014998 0.158122656252656 0.840608257852826 0.937891370548174 -0.013973 0.057245 0.013751 0.937878758672458 0.158200284220028 0.840721630196016 0.002619 -0.003972 0.043051 0.157186131914505 0.066777410705986 0.840342507746579 0.017282 -0.037347 -0.057914 0.0688852066747608 0.944130683378875 0.834721567077325 0.009497 -0.07124 0.012746 0.501622057924249 0.501610020844239 0.501711803501364 -0.004068 -0.010729 -0.019608 0.343354621403312 0.433978183640632 0.668117709531101 0.061402 -0.042315 0.006895 0.436747687050355 0.562973628848897 0.661297375311571 0.023135 0.008519 0.009437 0.559725951007897 0.345303378352171 0.664393762503809 0.003764 0.031334 0.004962 0.563134884003214 0.660981564070952 0.43704713315793 -0.012766 0.016113 0.020793 0.345469884096482 0.664235020917187 0.559747929754847 0.037834 -0.006631 -0.009515 0.433740399228385 0.668324218241345 0.343493091062457 -0.032771 -0.001596 0.044112 0.434819338136083 0.346069315554325 0.563640101644252 -0.070297 -0.002993 -0.054234 0.346079721234114 0.56363746868119 0.434798311927121 0.002613 -0.04915 -0.080897 0.563645968760985 0.434800808352744 0.345996714488137 -0.045174 -0.076441 -0.001593 0.664219873775972 0.559620116122339 0.345589208133863 0.006804 -0.003085 0.041854 0.660939963410608 0.436935783687438 0.563294935474968 0.021821 0.018864 -0.013049 0.668315756538917 0.343539416103722 0.43366922715526 -0.006295 0.03771 -0.038545 12.011000 C 0.136622174327132 0.866999986175747 0.134424334617964 -0.014036 0.017103 -0.005255 0.867359640093424 0.134561198928948 0.136261819871698 0.009464 -0.012484 -0.011166 0.134729160433872 0.136275227045674 0.867056247600901 -0.008248 0.001672 0.008807 0.864147249141257 0.135585227515044 0.867449460138304 0.001934 0.003847 0.063338 0.867288282705458 0.864180133992918 0.135426992783625 0.05465 0.041471 0.009939 0.135438770473821 0.867353675713506 0.864214917155057 0.009569 0.072886 0.011236 0.196240743875714 0.807070766004065 0.194923431719508 0.028431 0.002595 -0.047802 0.195037705184377 0.196137575530155 0.807096726747333 -0.048231 0.010476 0.009165 0.807250870658226 0.194888397174802 0.196107418763682 0.015624 -0.036107 0.027634 0.306953872526787 0.697078793401831 0.304460746981369 0.002603 0.055684 -0.012029 0.304356626498589 0.307112511485815 0.696966235760821 -0.004432 -0.042305 0.048207 0.697091104993023 0.304438081294008 0.306909488081743 0.053894 -0.009667 -0.002752 0.268457002834124 0.838718361969851 0.174470834245679 -0.010525 -0.007543 -0.033918 0.175937651494355 0.723666326131504 0.268371017645064 -0.003655 -0.008156 0.0269 0.326057370370002 0.781409630891675 0.231694703954268 0.011479 -0.017023 0.040031 0.233983736962729 0.666036773834422 0.325347777278375 -0.01256 0.003596 0.032481 0.174564733568685 0.268405000682745 0.838702195296059 -0.025188 -0.024485 -0.012226 0.268444606635224 0.175936423794338 0.723613925118715 0.010888 0.021787 -0.001747 0.231684976591231 0.326162694866325 0.781282574331914 0.00424 0.02325 -0.0164 0.325292800201608 0.234104734021381 0.665918854418209 0.046283 -0.014214 -0.002822 0.838758890430285 0.174492643305701 0.268422956308715 -0.012157 -0.06143 -0.011854 0.723799602795003 0.268274410421529 0.175863679871714 -0.010242 0.031364 -0.001766 0.781400543829336 0.231680800164308 0.326053151126588 -0.016821 0.04951 0.006331 0.666111113196288 0.325258595727149 0.233923483415339 0.000485 0.027733 -0.010617 0.696336683311506 0.304309175665565 0.695056403752573 -0.009663 -0.004899 -0.01263 0.694962649632439 0.696221195120892 0.304492398595837 -0.003074 -0.026172 -0.005288 0.304447827417232 0.695066009427659 0.696251396680001 -0.00925 -0.006666 -0.000707 0.807107366218244 0.19275675152665 0.804418376728447 -0.039228 0.012632 -0.026626 0.804194259838232 0.807163650951616 0.19260770824499 -0.019144 -0.037309 0.014104 0.192706034950561 0.804405529445076 0.807093407353188 0.009022 -0.044443 -0.043743 0.634526194230046 0.366647633321712 0.636737493572081 0.007178 0.003743 0.046143 0.36671346844577 0.636579297778804 0.634570792222173 -0.003721 0.062544 0.031376 0.636611312973975 0.634440500906109 0.366864882278444 0.041132 0.007193 0.003783 0.365024698135828 0.366749315721312 0.638552893381683 0.073485 -0.024364 -0.01073 0.638672195298181 0.365141739259802 0.366532458497227 -0.010862 0.059945 -0.02718 0.780041014716131 0.32426980625201 0.663801077337922 -0.02786 -0.018453 0.003586 0.66581153422515 0.230732924099877 0.778077542117715 -0.018905 -0.017129 0.012503 0.838110048590711 0.265701714045628 0.720675446181319 0.028994 -0.010451 0.013621 0.723467365807298 0.172848572724169 0.835340793680229 -0.042403 -0.009535 0.017249 0.663697908501091 0.779990142557934 0.324324021974854 0.044971 -0.037447 -0.018382 0.777970525244907 0.665655883295011 0.230909078640674 0.002558 -0.020791 -0.014579 0.720514111667336 0.838185626828262 0.265567013309526 -0.014908 0.019117 -0.008054 0.835088480332175 0.723444250533739 0.172840064657102 0.037365 -0.059967 -0.007672 0.324297759823397 0.663835921336071 0.78002075950407 -0.00881 -0.015517 -0.032449 0.230924036589806 0.778092428780249 0.665675041188376 -0.014304 0.003991 -0.026015 0.265681134232544 0.720704079085183 0.838079023453095 -0.018449 0.030565 0.044359 0.172937747182193 0.835299662835648 0.723383674528114 -0.012545 0.042 -0.054201 0.366593158925544 0.638687510444886 0.365121136911964 -0.037424 -0.014957 0.066578 1.000000 H 0.907624160729272 0.114871137514639 0.274737444499969 -0.041124 0.018815 0.024678 0.797909825371018 0.224258972365649 0.385298889420534 -0.017667 0.010149 0.023666 0.708893383791899 0.277425778604439 0.114662779403842 -0.037496 0.016052 0.010988 0.598341353600791 0.385831671259546 0.225370737848207 0.0039 0.046614 0.021002 0.115013341601669 0.274644669411497 0.907588745431839 0.01128 0.034134 -0.041417 0.224201776573413 0.385388317326146 0.797845283576677 0.018729 0.033575 -0.016785 0.277683579889011 0.114688292525594 0.708728287425989 0.011215 0.004845 -0.040789 0.385880661742418 0.22558803657712 0.598127275297377 0.044451 0.028437 0.004086 0.274745372211749 0.907587859000777 0.11483567630222 0.024633 -0.043074 0.019431 0.385283531153101 0.797980791896982 0.224208175872631 0.028137 -0.015503 0.016304 0.114740336891054 0.708740821178869 0.277538569391688 0.011067 -0.039022 0.016299 0.225443591019605 0.598281392958174 0.385946289750111 0.017781 0.003858 0.048894 0.386128769411233 0.596818922207736 0.794236040593239 -0.028884 0.035651 -0.015876 0.274113328924229 0.705142702410399 0.905674279063646 4.1e-05 0.011508 -0.022593 0.223918913413285 0.793864740908698 0.59721321842958 -0.012314 0.029762 0.009047 0.113317219559533 0.903932047122688 0.707120199508359 -0.020122 0.002987 -0.013505 0.596717623584565 0.794213758742671 0.386110031478297 0.023527 0.003017 -0.02726 0.704901431699337 0.905814167105026 0.273958436898269 0.017178 -0.015081 0.000918 0.793777481888128 0.597144309585022 0.223968891610805 0.027838 0.006369 -0.012996 0.903733629800669 0.707172477981496 0.113245818380497 0.00436 -0.017452 -0.020884 0.794260812740004 0.386089224725407 0.59676785371138 -0.015303 -0.025849 0.033499 0.905619247290899 0.274209726920242 0.705175216829664 -0.009388 -0.003197 0.017917 0.597420166413507 0.223654295734034 0.79379496094181 0.00166 -0.009343 0.026516 0.707168497848035 0.113284367287182 0.904000473232965 -0.016732 -0.02089 0.007257