Number of particles = 106 H0(1,1) = 11.855242487 A H0(1,2) = 0.034148111 A H0(1,3) = 11.856199552 A H0(2,1) = 11.853599412 A H0(2,2) = 11.853326069 A H0(2,3) = 0.035799934 A H0(3,1) = 0.036101609 A H0(3,2) = 11.853026149 A H0(3,3) = 11.854257054 A .NO_VELOCITY. entry_count = 6 auxiliary[0] = fx [eV/A] auxiliary[1] = fy [eV/A] auxiliary[2] = fz [eV/A] 65.390000 Zn 0.0457307429419949 0.0451741969160719 0.0455414413818729 0.065212 0.048611 0.059256 0.866329759946165 0.0444545455026288 0.0469299776369621 -0.05807 0.206288 -0.065155 0.0467803736206613 0.865988747784722 0.0444195037126523 -0.031665 -0.042938 0.19494 0.0445687248797993 0.0471240338707003 0.865821216799179 0.213509 -0.040103 -0.0357 0.457354932245937 0.63689573577092 0.453704336543001 0.075769 0.106566 0.008116 0.453900795013894 0.457057809066418 0.636975301253246 0.002102 0.083904 0.102885 0.636859811900019 0.453651000490036 0.457466231994501 0.101328 0.008096 0.073417 0.457314765126055 0.457331874730325 0.457146526431149 -0.044754 -0.065487 -0.060408 16.000000 O 0.000695444533949552 0.000522281292316263 0.000399516660620587 -0.008297 -0.017746 0.002305 0.159260999981571 0.9419154087201 0.0635509497111381 0.050191 -0.008216 0.095203 0.942186639790567 0.0636160736476049 0.158980839000858 0.005614 0.09375 0.028252 0.0637793794050365 0.158862570825602 0.941972291477571 0.070346 0.080653 0.014209 0.833321895374734 0.0705880478920164 0.943847616848766 -0.157004 0.003155 0.129304 0.84250167152495 0.15503076582039 0.0666395173247685 -0.021362 0.126865 -0.126597 0.840147973168679 0.938289936362028 0.15702943260211 -0.001546 0.157072 0.039462 0.0669769664345147 0.842183506387624 0.154727335358508 -0.133728 -0.007361 0.147213 0.9437148288178 0.8330670923973 0.0705860281768486 0.111206 -0.117859 -0.010635 0.157137103554941 0.84011982594718 0.938397476808109 0.043558 -0.016344 0.125419 0.938320548929108 0.157284859536739 0.840146581535712 0.128726 0.030059 0.002318 0.15512251002761 0.066787489025142 0.842147722369309 0.088987 -0.171766 -0.033111 0.0703054271602136 0.943624770205598 0.833538793405161 0.016744 0.155101 -0.179878 0.501823909333905 0.501814486808988 0.501860271661396 -0.050107 -0.045988 -0.045075 0.342292304330426 0.433668784540451 0.670210607437377 0.013963 -0.067191 -0.010394 0.436046655909062 0.562382509220475 0.661305094122437 0.012497 -0.01166 0.185641 0.559562606842333 0.345516945978522 0.664240243121867 -0.105823 0.034243 0.013384 0.562560729680414 0.661038431217492 0.436306769207101 -0.014728 0.192898 0.015333 0.345813510074585 0.664077546345729 0.559470075116198 0.035543 -0.008334 -0.146242 0.433437891989924 0.670353202411168 0.342377024580948 -0.044238 -0.004835 0.019374 0.434590401029945 0.347264337978014 0.564879554334076 0.034289 -0.264469 -0.105721 0.347164281907034 0.564868552396258 0.434543364128483 -0.21404 -0.097 0.008218 0.564903219084801 0.434511592356963 0.347048254639174 -0.10714 0.02006 -0.21309 0.664011214953402 0.559430996940633 0.345832127589569 -0.016252 -0.152445 0.040683 0.660969757388175 0.436306296570347 0.562667140721156 0.167309 0.016431 -0.002834 0.670356525685559 0.342463616005334 0.433341293531579 -0.005576 0.017117 -0.031811 12.011000 C 0.136561680392019 0.868118509954234 0.133210278262221 -0.118158 -0.003792 0.047953 0.868402899142506 0.133333452045762 0.136329809627552 -0.004616 0.035692 -0.110777 0.133427410195319 0.136360548308523 0.86817134583018 0.05671 -0.129853 0.007791 0.863970002877516 0.135938343070305 0.86692675959515 0.026987 -0.005966 -0.008444 0.866702690031989 0.863964320613918 0.135796792809215 0.031296 -0.017728 -0.006037 0.135758453539659 0.866821608740697 0.864075115034214 -0.011059 -0.014772 0.056199 0.195452655291015 0.807477018805885 0.19451380895639 -0.006833 0.018178 0.130655 0.194696328161352 0.195268778295887 0.807441649721297 0.148179 0.103098 0.032916 0.807599466565322 0.194518114574661 0.195356471527483 0.027611 0.11264 0.01305 0.307205461131064 0.696266111535438 0.304008463129327 -0.03256 0.090217 0.090294 0.303925962078114 0.307431106849712 0.696058563066953 0.07006 -0.02827 0.084356 0.696304105459099 0.30397741575084 0.307173801680807 0.087797 0.071632 -0.051082 0.267841196311308 0.838258177455222 0.175089989309664 0.126223 -0.022946 -0.0659 0.17543806907829 0.723772321991733 0.268463913692343 0.015864 -0.014414 -0.010638 0.32563660733499 0.780593846452849 0.231909277932238 0.065591 0.022307 -0.04776 0.23376090147921 0.665654863245712 0.325241277194604 0.080126 0.018045 0.076253 0.175275113501598 0.267759349014642 0.83816113194967 -0.122671 0.183633 -0.021047 0.268491874130341 0.175410289387142 0.723802178943135 0.056985 -0.050732 -0.02275 0.231918524824713 0.325700438632575 0.780494938950556 -0.053202 0.032941 0.01258 0.325180080781097 0.233924161369878 0.665565591031581 0.023144 0.043655 0.017188 0.838303845446131 0.175087475244536 0.267795289798659 -0.026764 -0.053248 0.133912 0.723899993359916 0.268383479023298 0.17533271825722 -0.019866 0.009718 0.027563 0.780595901844186 0.231907733140621 0.325606819485914 0.021688 -0.045913 0.069925 0.665756284735628 0.325137650912725 0.233683200567845 0.016283 0.104129 0.08117 0.695991339662642 0.304837949347173 0.694621735847215 0.006525 -0.014817 0.241406 0.694582119407211 0.695788682976283 0.30497875840381 0.291475 0.076389 -0.010762 0.305032991115542 0.694630340031714 0.695817564060659 -0.021346 0.300646 0.016237 0.807100140648729 0.193137634049498 0.804007818967743 -0.007225 0.013295 0.029308 0.803724358016189 0.807239016730544 0.192925167103922 0.003082 0.022677 0.017116 0.193062416268743 0.803917612175528 0.807191309053013 0.010931 0.012091 -0.023105 0.634430435583966 0.366628560839395 0.636405203734639 -0.015028 0.021703 -0.050495 0.36668981187352 0.636273333609582 0.634435700114608 0.031169 -0.06384 0.012665 0.636311544522812 0.634316285186152 0.366775821542043 -0.052599 0.010429 0.01848 0.364272230512119 0.367304629325151 0.639374211963029 -0.074797 0.029924 -0.028675 0.639588052923119 0.364354146132963 0.367032074575779 -0.046797 -0.077788 -0.071654 0.779785789412772 0.324531961401968 0.663918102522804 0.126052 -0.02073 -0.006545 0.666060422881589 0.23104226264957 0.777797661453707 -0.1433 0.005604 0.014 0.838037166637405 0.265990146498966 0.720619744599048 0.010386 -0.012348 -0.063802 0.723638290040137 0.173259352177124 0.835022162194734 -0.064719 -0.00834 -0.047199 0.663828239880387 0.779729275353323 0.324549707805728 -0.003406 0.114577 -0.020121 0.777635899640363 0.665927554933725 0.231274167588959 0.031034 -0.26446 0.022227 0.720383900735447 0.838133348784563 0.265838642262219 -0.04653 0.026044 -0.007338 0.834768001426838 0.723690675614327 0.173220970971175 -0.122495 -0.044657 -0.011673 0.324575933005001 0.6639725638715 0.779710845854559 -0.026323 -0.020407 0.14611 0.23126472297329 0.777781493099346 0.665908857300143 0.012557 0.024018 -0.164997 0.265952646612503 0.720604069767456 0.838048704949386 -0.012545 -0.062298 0.030036 0.17335879651151 0.83490801864913 0.72363066056567 -0.002508 -0.054187 -0.085893 0.367096287028887 0.639565301803904 0.364349849249858 -0.048999 -0.051442 -0.093551 1.000000 H 0.906891510495343 0.116471788693459 0.27647819532465 -0.049785 -0.138268 -0.088552 0.798250124434597 0.224831016029364 0.383761569876245 -0.052388 0.059873 0.061444 0.707658178258036 0.279765977691529 0.114035642577448 -0.046945 -0.103888 0.07747 0.598418907739032 0.386424820162797 0.224469742724239 -0.018516 -0.021935 0.079807 0.116545861633874 0.276421433553302 0.906929307290827 -0.100024 -0.151828 -0.057228 0.224815242827589 0.383781667434667 0.798209134257584 0.07308 0.084776 -0.051573 0.280008018622206 0.114012875855566 0.707560782882971 -0.088244 0.091503 -0.049344 0.386459773073297 0.224644624669814 0.598263857159456 -0.013966 0.073715 -0.021407 0.276463965704981 0.906869547006913 0.116457925405724 -0.084604 -0.05081 -0.13762 0.38378924998987 0.798301001162941 0.22478498069643 0.05207 -0.052483 0.055022 0.114083041865071 0.707534725820831 0.279895144718654 0.09479 -0.048647 -0.092472 0.224566851865955 0.598336453308925 0.386544695724173 0.070503 -0.018478 -0.017174 0.386406189474729 0.59746119226241 0.795678885251305 -0.033167 -0.040869 -0.189141 0.274353184511026 0.7051511619649 0.905695690817625 0.001467 -0.043213 -0.065507 0.222099270965184 0.79602910560937 0.597733700337571 -0.029714 -0.096885 0.128225 0.114149760039031 0.90367849651946 0.706728055370185 -0.040572 -0.003538 0.025267 0.597404106306445 0.795665487403843 0.386395613798998 -0.055125 -0.173062 -0.035496 0.704829049625851 0.905856498861563 0.274243802872464 -0.051096 -0.08517 0.005245 0.795942635532561 0.597572472200647 0.222215716608515 -0.065431 0.171566 -0.03765 0.903452573884626 0.706828415154287 0.114116100358018 0.02216 -0.020748 -0.034623 0.795721863048609 0.386327063918481 0.597427766932561 -0.168054 -0.032972 -0.056044 0.905647172736815 0.27440476668916 0.705203429089648 -0.06266 0.00261 -0.041796 0.59797008847491 0.221874932643584 0.795893336376226 0.115887 -0.026383 -0.10139 0.70675119738336 0.114059528179338 0.903760851297889 0.014366 -0.036327 0.007109