166 lines
6.5 KiB
Groff
166 lines
6.5 KiB
Groff
ITEM: TIMESTEP
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0
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ITEM: NUMBER OF ATOMS
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6
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ITEM: BOX BOUNDS ss ss ss
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-1.4632357229999999e+00 9.3247372299999998e-01
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-7.5570026690000003e-01 7.5527126690000002e-01
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-8.9995638999999985e-03 2.9352285639000000e+00
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ITEM: ATOMS id type x y z fx fy fz
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1 1 -0.024616 -0.001154 -0.003748 7.94661 0.0143882 11.5654
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2 2 -0.244211 -0.000666 0.933978 -7.05777 -0.00770443 -3.06431
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3 2 0.932234 -0.000406 -0.008705 -0.956334 -0.00629552 -7.87238
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4 1 -0.892721 0.00012 2.77367 -12.7377 -0.00815373 2.78728
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5 2 -1.463 0.75512 2.93387 6.39935 4.06267 -1.71086
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6 2 -1.46181 -0.755549 2.93493 6.40581 -4.05491 -1.70517
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ITEM: TIMESTEP
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10
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ITEM: NUMBER OF ATOMS
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6
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ITEM: BOX BOUNDS ss ss ss
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-1.4632357229999999e+00 9.3247372299999998e-01
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-7.5570026690000003e-01 7.5527126690000002e-01
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-8.9995638999999985e-03 2.9352285639000000e+00
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ITEM: ATOMS id type x y z fx fy fz
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1 1 -0.0210901 -0.00114727 0.00187855 -6.1441 -0.00926688 -6.30688
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2 2 -0.299755 -0.000716119 0.924842 7.69349 0.00623407 0.274054
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3 2 0.933941 -0.000453269 -0.0777281 -1.08824 0.00357639 6.29137
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4 1 -0.89902 0.000115499 2.77431 8.40057 0.0041921 -3.3195
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5 2 -1.41411 0.797948 2.92323 -4.42685 -5.12343 1.53409
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6 2 -1.41285 -0.798315 2.92435 -4.43485 5.1187 1.52687
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ITEM: TIMESTEP
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20
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ITEM: NUMBER OF ATOMS
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6
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ITEM: BOX BOUNDS ss ss ss
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-1.4632357229999999e+00 9.3247372299999998e-01
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-7.5570026690000003e-01 7.5527126690000002e-01
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-8.9995638999999985e-03 2.9352285639000000e+00
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ITEM: ATOMS id type x y z fx fy fz
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1 1 -0.0253162 -0.0011519 9.30621e-06 6.65721 0.0114207 8.7962
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2 2 -0.214112 -0.000636438 0.94263 -7.71284 -0.00678668 -1.03908
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3 2 0.928921 -0.000430955 -0.0404651 0.717191 -0.00462784 -7.37266
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4 1 -0.894334 0.00011596 2.76974 -10.0965 -0.00568803 3.16137
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5 2 -1.45804 0.75449 2.94684 5.21348 5.11475 -1.77652
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6 2 -1.45685 -0.754893 2.9479 5.22149 -5.10907 -1.76931
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ITEM: TIMESTEP
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30
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ITEM: NUMBER OF ATOMS
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6
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ITEM: BOX BOUNDS ss ss ss
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-1.4632357229999999e+00 9.3247372299999998e-01
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-7.5570026690000003e-01 7.5527126690000002e-01
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-8.9995638999999985e-03 2.9352285639000000e+00
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ITEM: ATOMS id type x y z fx fy fz
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1 1 -0.0221554 -0.0011439 0.00783939 -8.36895 -0.0130834 -9.24354
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2 2 -0.25261 -0.000667783 0.941075 6.36112 0.00692164 2.73081
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3 2 0.92432 -0.000494304 -0.125343 2.07038 0.00615069 6.42537
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4 1 -0.900866 0.00010992 2.76846 11.0986 0.00640696 -3.42785
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5 2 -1.40977 0.795072 2.93807 -5.57817 -3.04583 1.75974
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6 2 -1.40852 -0.795411 2.93919 -5.58301 3.03943 1.75548
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ITEM: TIMESTEP
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40
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ITEM: NUMBER OF ATOMS
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6
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ITEM: BOX BOUNDS ss ss ss
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-1.4632357229999999e+00 9.3247372299999998e-01
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-7.5570026690000003e-01 7.5527126690000002e-01
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-8.9995638999999985e-03 2.9352285639000000e+00
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ITEM: ATOMS id type x y z fx fy fz
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1 1 -0.0269208 -0.00114842 0.00674288 5.42877 0.00730481 4.31748
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2 2 -0.171607 -0.000594964 0.954009 -8.40692 -0.00484075 2.50346
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3 2 0.92209 -0.000466908 -0.0840066 2.3456 -0.00296432 -6.82561
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4 1 -0.895716 0.000110956 2.76419 -6.18264 -0.00259137 3.07323
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5 2 -1.45218 0.754436 2.95353 3.40261 6.39649 -1.53879
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6 2 -1.45099 -0.75482 2.9546 3.41259 -6.3934 -1.52976
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ITEM: TIMESTEP
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50
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ITEM: NUMBER OF ATOMS
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6
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ITEM: BOX BOUNDS ss ss ss
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-1.4632357229999999e+00 9.3247372299999998e-01
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-7.5570026690000003e-01 7.5527126690000002e-01
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-8.9995638999999985e-03 2.9352285639000000e+00
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ITEM: ATOMS id type x y z fx fy fz
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1 1 -0.0239329 -0.00114175 0.0128926 -8.15007 -0.014184 -11.0504
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2 2 -0.230937 -0.000644481 0.949766 5.72493 0.00756591 4.36142
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3 2 0.91871 -0.000511822 -0.144074 2.40885 0.00639366 6.3907
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4 1 -0.899724 0.000108594 2.76531 11.5106 0.00694105 -3.03119
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5 2 -1.41275 0.792848 2.92798 -5.74551 -2.08247 1.6662
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6 2 -1.41151 -0.793206 2.9291 -5.7488 2.07576 1.66327
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ITEM: TIMESTEP
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60
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ITEM: NUMBER OF ATOMS
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6
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ITEM: BOX BOUNDS ss ss ss
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-1.4632357229999999e+00 9.3247372299999998e-01
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-7.5570026690000003e-01 7.5527126690000002e-01
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-8.9995638999999985e-03 2.9352285639000000e+00
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ITEM: ATOMS id type x y z fx fy fz
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1 1 -0.0287434 -0.0011479 0.00953424 6.82379 0.00862743 4.63675
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2 2 -0.180318 -0.000600308 0.956082 -8.03241 -0.00482631 2.10983
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3 2 0.922397 -0.000459471 -0.0739414 0.782565 -0.00412295 -6.72684
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4 1 -0.892694 0.000113827 2.76489 -6.55004 -0.00361317 2.26756
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5 2 -1.45749 0.757284 2.91975 3.48398 5.14308 -1.14726
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6 2 -1.4563 -0.757724 2.92081 3.49211 -5.13915 -1.14003
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ITEM: TIMESTEP
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70
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ITEM: NUMBER OF ATOMS
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6
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ITEM: BOX BOUNDS ss ss ss
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-1.4632357229999999e+00 9.3247372299999998e-01
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-7.5570026690000003e-01 7.5527126690000002e-01
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-8.9995638999999985e-03 2.9352285639000000e+00
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ITEM: ATOMS id type x y z fx fy fz
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1 1 -0.025848 -0.00114271 0.0136758 -6.10179 -0.0106002 -8.24377
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2 2 -0.259382 -0.000669072 0.94681 6.59121 0.0065405 1.93161
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3 2 0.923692 -0.000484045 -0.110366 -0.0484081 0.00428029 6.1322
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4 1 -0.894893 0.000114175 2.76783 7.43985 0.00424265 -2.1131
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5 2 -1.42416 0.79251 2.88639 -3.9377 -3.53776 1.14903
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6 2 -1.42292 -0.792944 2.88751 -3.94318 3.53329 1.14403
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ITEM: TIMESTEP
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80
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ITEM: NUMBER OF ATOMS
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6
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ITEM: BOX BOUNDS ss ss ss
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-1.4632357229999999e+00 9.3247372299999998e-01
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-7.5570026690000003e-01 7.5527126690000002e-01
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-8.9995638999999985e-03 2.9352285639000000e+00
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ITEM: ATOMS id type x y z fx fy fz
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1 1 -0.030135 -0.00114891 0.00965506 7.41429 0.0123912 9.3266
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2 2 -0.213346 -0.000627628 0.954378 -6.76672 -0.00675668 -2.04974
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3 2 0.924938 -0.000432456 -0.0385785 -0.591495 -0.00546702 -7.10385
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4 1 -0.888796 0.000119275 2.76827 -9.03539 -0.00642914 1.05959
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5 2 -1.46214 0.762697 2.87512 4.48797 2.10983 -0.617778
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6 2 -1.46094 -0.763208 2.87619 4.49133 -2.10357 -0.61482
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ITEM: TIMESTEP
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90
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ITEM: NUMBER OF ATOMS
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6
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ITEM: BOX BOUNDS ss ss ss
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-1.4632357229999999e+00 9.3247372299999998e-01
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-7.5570026690000003e-01 7.5527126690000002e-01
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-8.9995638999999985e-03 2.9352285639000000e+00
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ITEM: ATOMS id type x y z fx fy fz
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1 1 -0.0270206 -0.00114299 0.0145983 -6.11813 -0.00811207 -4.69194
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2 2 -0.274281 -0.000680382 0.947366 7.50569 0.00503125 -1.23144
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3 2 0.92514 -0.000469353 -0.0912836 -0.650877 0.00352314 5.72916
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4 1 -0.891964 0.000116952 2.76852 3.17186 0.0014363 -1.52231
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5 2 -1.43137 0.791127 2.86377 -1.95059 -4.67792 0.861555
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6 2 -1.43013 -0.791605 2.86488 -1.95795 4.67604 0.85497
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ITEM: TIMESTEP
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100
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ITEM: NUMBER OF ATOMS
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6
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ITEM: BOX BOUNDS ss ss ss
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-1.4632357229999999e+00 9.3247372299999998e-01
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-7.5570026690000003e-01 7.5527126690000002e-01
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-8.9995638999999985e-03 2.9352285639000000e+00
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ITEM: ATOMS id type x y z fx fy fz
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1 1 -0.030669 -0.00114759 0.0121427 6.42493 0.0120997 10.0073
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2 2 -0.203569 -0.000615753 0.960107 -6.40597 -0.00736639 -3.30674
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3 2 0.923036 -0.000442107 -0.0503324 -0.0528607 -0.00477186 -6.71539
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4 1 -0.889443 0.000116814 2.76553 -7.7691 -0.0050422 1.37075
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5 2 -1.45671 0.76736 2.88018 3.9012 0.426437 -0.678284
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6 2 -1.4555 -0.767854 2.88126 3.9018 -0.421357 -0.677675
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