Number of particles = 106 H0(1,1) = 12.8345 A H0(1,2) = 0 A H0(1,3) = 12.8345 A H0(2,1) = 12.8345 A H0(2,2) = 12.8345 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 12.8345 A H0(3,3) = 12.8345 A .NO_VELOCITY. entry_count = 6 auxiliary[0] = fx [eV/A] auxiliary[1] = fy [eV/A] auxiliary[2] = fz [eV/A] 65.390000 Zn 0.0488001090809926 0.0488001090809926 0.0488001090809926 -0.302327 -0.308748 -0.309427 0.853599672757022 0.0488001090809926 0.0488001090809926 0.196206 -0.343472 0.203317 0.0488001090809926 0.853599672757022 0.0488001090809926 0.192243 0.207313 -0.345146 0.0488001090809926 0.0488001090809926 0.853599672757022 -0.336742 0.201412 0.207115 0.451199890919007 0.646400327242978 0.451199890919007 -0.322179 -0.324318 0.187985 0.451199890919007 0.451199890919007 0.646400327242978 0.17652 -0.328249 -0.32617 0.646400327242978 0.451199890919007 0.451199890919007 -0.317394 0.187144 -0.328659 0.451199890919007 0.451199890919007 0.451199890919007 0.211143 0.220936 0.222088 16.000000 O 0 0 0 0.047152 0.046172 0.047061 0.131599984417001 0.931999688340021 0.131599984417001 2.765855 2.705977 -5.482444 0.931999688340021 0.131599984417001 0.131599984417001 2.70588 -5.48303 2.767384 0.131599984417001 0.131599984417001 0.931999688340021 -5.490945 2.772384 2.708091 0.804800342825977 0.131599984417001 0.931999688340021 -3.639251 3.905228 7.502199 0.804800342825977 0.131599984417001 0.131599984417001 -2.652207 -5.451007 -2.710953 0.804800342825977 0.931999688340021 0.131599984417001 7.508211 3.649298 -3.881592 0.131599984417001 0.804800342825977 0.131599984417001 -2.710309 -2.654687 -5.450913 0.931999688340021 0.804800342825977 0.131599984417001 7.505145 -3.637207 3.902541 0.131599984417001 0.804800342825977 0.931999688340021 -3.890128 7.497889 3.66209 0.931999688340021 0.131599984417001 0.804800342825977 3.660805 -3.891786 7.497119 0.131599984417001 0.131599984417001 0.804800342825977 -5.459828 -2.713849 -2.65926 0.131599984417001 0.931999688340021 0.804800342825977 3.90457 7.501882 -3.640738 0.5 0.5 0.5 0.048519 0.04748 0.047755 0.368400015582999 0.368400015582999 0.695199657174023 7.533861 3.664508 3.91194 0.368400015582999 0.568000311659979 0.695199657174023 -2.676154 -5.46154 2.752369 0.568000311659979 0.368400015582999 0.695199657174023 -2.732434 2.690121 -5.463186 0.568000311659979 0.695199657174023 0.368400015582999 -5.469909 2.758454 -2.680422 0.368400015582999 0.695199657174023 0.568000311659979 2.690342 -5.46346 -2.734288 0.368400015582999 0.695199657174023 0.368400015582999 3.676328 3.921342 7.523297 0.368400015582999 0.368400015582999 0.568000311659979 7.488177 -3.612714 -3.863216 0.368400015582999 0.568000311659979 0.368400015582999 -3.614844 -3.866569 7.484468 0.568000311659979 0.368400015582999 0.368400015582999 -3.865181 7.485073 -3.616277 0.695199657174023 0.568000311659979 0.368400015582999 -5.471768 -2.736119 2.695234 0.695199657174023 0.368400015582999 0.568000311659979 2.751713 -2.678851 -5.4613 0.695199657174023 0.368400015582999 0.368400015582999 3.920391 7.523588 3.677381 12.011000 C 0.146500058436246 0.853499941563754 0.146500058436246 -0.039506 -0.036951 2.306038 0.853499941563754 0.146500058436246 0.146500058436246 -0.038404 2.305809 -0.040545 0.146500058436246 0.146500058436246 0.853499941563754 2.310146 -0.050321 -0.035746 0.853499941563754 0.146500058436246 0.853499941563754 -0.003817 0.005496 18.360631 0.853499941563754 0.853499941563754 0.146500058436246 18.403106 -0.008483 -0.008734 0.146500058436246 0.853499941563754 0.853499941563754 0.00426 18.360405 -0.002909 0.200599945459504 0.799400054540496 0.200599945459504 0.010284 0.007035 4.596631 0.200599945459504 0.200599945459504 0.799400054540496 4.535206 0.067687 0.01374 0.799400054540496 0.200599945459504 0.200599945459504 0.007087 4.596532 0.010527 0.308999961042503 0.691000038957497 0.308999961042503 0.00454 0.004738 -27.055437 0.308999961042503 0.308999961042503 0.691000038957497 -26.778888 -0.627612 0.007123 0.691000038957497 0.308999961042503 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-0.041677 -0.037597 18.354601 1.000000 H 0.877800070123495 0.122199929876505 0.290200241536484 0.021176 -0.050972 -0.054898 0.780600335034477 0.219399664965523 0.387399976625502 -0.045249 0.041688 -0.131628 0.709799758463516 0.290200241536484 0.122199929876505 -0.020371 -0.051827 0.056786 0.612600023374498 0.387399976625502 0.219399664965523 0.046829 0.042666 0.13342 0.122199929876505 0.290200241536484 0.877800070123495 0.005456 -0.047923 0.019564 0.219399664965523 0.387399976625502 0.780600335034477 -0.18536 -0.639002 -0.044737 0.290200241536484 0.122199929876505 0.709799758463516 -0.049688 0.056623 -0.019617 0.387399976625502 0.219399664965523 0.612600023374498 0.038124 0.127151 0.046835 0.290200241536484 0.877800070123495 0.122199929876505 -0.054863 0.021226 -0.050848 0.387399976625502 0.780600335034477 0.219399664965523 -0.131612 -0.045237 0.041822 0.122199929876505 0.709799758463516 0.290200241536484 0.056584 -0.020363 -0.051704 0.219399664965523 0.612600023374498 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