ITEM: TIMESTEP 0 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.6660422 0.1321237 2.5211110 -21.0506671 -33.9825305 24.9217447 2 1 1.1548320 2.4500710 0.6217319 11.3514858 38.4960778 -43.1347578 3 1 0.2052378 1.7072280 1.6973700 -63.2279462 11.3981669 18.8765761 4 1 2.7678710 1.1236150 2.4279410 87.1210938 4.9630681 67.5475342 5 1 1.7814280 1.0049660 1.5556430 -14.1939663 -20.8747823 -68.2110971 ITEM: TIMESTEP 1 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.6418797 0.0931176 2.5497169 -13.5529222 -25.7071562 20.3905362 2 1 1.1678615 2.4942579 0.5722206 7.0063166 28.7942028 -30.3427719 3 1 0.1326630 1.7203111 1.7190371 -47.7879126 11.6790080 12.4984946 4 1 2.8678710 1.1293117 2.5054739 49.1099603 1.7930127 39.2209836 5 1 1.7651358 0.9810053 1.4773484 5.2245578 -16.5590674 -41.7672426 ITEM: TIMESTEP 2 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.6142826 0.0407715 2.5912370 -7.6282862 -16.9035456 14.4454758 2 1 1.1821281 2.5528900 0.5104353 5.6675513 18.1121427 -17.0772536 3 1 0.0353550 1.7440925 1.7444871 -26.5469170 7.8499939 8.7165976 4 1 2.9678710 1.1329628 2.5853375 20.4987128 2.8936728 19.1036451 5 1 1.7757743 0.9472870 1.3923000 8.0089391 -11.9522637 -25.1884649 ITEM: TIMESTEP 3 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.5855475 -0.0229027 2.6456519 -4.2317311 -10.0047072 8.8084762 2 1 1.2034773 2.6211169 0.4461067 2.5177354 11.5457790 -9.9261420 3 1 -0.0646450 1.7736627 1.7773218 -14.7844464 5.0249454 4.6480416 4 1 3.0450879 1.1438630 2.6572994 11.3253327 1.8089520 11.2347576 5 1 1.8059433 0.9022638 1.2974172 5.1731093 -8.3749692 -14.7651334 ITEM: TIMESTEP 4 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.5569246 -0.0905732 2.7052313 -2.8249543 -5.3995733 4.2821535 2 1 1.2205070 2.6992110 0.3789676 0.8518351 6.4410071 -5.0581633 3 1 -0.1646450 1.8076508 1.8087605 -7.2546294 2.7486247 2.1681473 4 1 3.1216909 1.1560985 2.7332897 5.9833316 1.3100209 5.0804259 5 1 1.8409335 0.8456167 1.1975478 3.2444170 -5.1000795 -6.4725633 ITEM: TIMESTEP 5 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.5179846 -0.1650026 2.7642578 -0.8922494 -1.8407424 1.3425363 2 1 1.2322489 2.7879958 0.3092444 0.0767059 2.5423148 -1.9070336 3 1 -0.2646450 1.8455387 1.8386469 -2.7811474 1.1531293 0.7566366 4 1 3.2041670 1.1741562 2.8033199 1.9811814 0.3263682 1.5208367 5 1 1.8856555 0.7753156 1.1083280 1.6155095 -2.1810700 -1.7129759 ITEM: TIMESTEP 6 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.4859025 -0.2311890 2.8125305 -0.4375710 -0.0925145 -0.1221111 2 1 1.2350070 2.8794082 0.2406743 -0.2765699 0.0327008 -0.1083727 3 1 -0.3646450 1.8870010 1.8658528 -0.6628524 0.3249584 0.1085542 4 1 3.2754031 1.1858912 2.8580036 0.7707579 0.0217409 0.2246264 5 1 1.9437434 0.6968922 1.0467356 0.6062354 -0.2868857 -0.1026967 ITEM: TIMESTEP 7 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.4291310 -0.2431921 2.7966875 -0.1663738 1.0193548 -1.1227261 2 1 1.1991241 2.8836509 0.2266138 -0.5377808 -1.2170298 0.7816748 3 1 -0.4506450 1.9291619 1.8799369 -2.0699026 1.1178818 0.7416077 4 1 3.3754031 1.1887120 2.8871472 0.3249536 -0.0849108 -0.2369331 5 1 2.0223978 0.6596710 1.0334115 2.4491036 -0.8352960 -0.1636233 ITEM: TIMESTEP 8 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.3902207 -0.2387370 2.7728854 -0.0256794 1.2721744 -1.3323446 2 1 1.1693279 2.8717732 0.2268729 -0.5449788 -1.4812609 0.9741626 3 1 -0.5314498 1.9700161 1.8980121 0.9775305 -0.4596827 -0.2883254 4 1 3.4443250 1.1895247 2.9032453 0.1755998 -0.1518244 -0.4155916 5 1 2.1029872 0.6254267 1.0227812 -0.5824721 0.8205936 1.0620990 ITEM: TIMESTEP 9 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.3359857 -0.1941595 2.6999082 0.1522465 1.2295432 -1.2667039 2 1 1.1119166 2.8106774 0.2566769 -0.3635612 -1.4342834 0.9533417 3 1 -0.6129176 2.0122498 1.9141298 0.9626114 -0.5236528 -0.3268506 4 1 3.5443250 1.1860518 2.9127994 0.1082280 -0.1805134 -0.4890521 5 1 2.1961013 0.6031842 1.0402825 -0.8595248 0.9089064 1.1292648 ITEM: TIMESTEP 10 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.3440147 -0.1087662 2.6107821 0.0268286 0.2111430 -0.5734427 2 1 1.0847833 2.7106774 0.3226849 -0.0273873 -0.4989907 0.1484267 3 1 -0.5510187 1.9784885 1.8926207 -0.1018964 0.0227177 -0.0292092 4 1 3.5559330 1.1736457 2.8799961 0.4769068 -0.0384009 -0.0914498 5 1 2.1416986 0.6639584 1.1177131 -0.3744516 0.3035309 0.5456750 ITEM: TIMESTEP 11 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.3469358 -0.0857773 2.5483466 -0.4018842 -0.2794447 -0.0263686 2 1 1.0818014 2.6563480 0.3388454 -0.0878454 0.1099268 -0.1959062 3 1 -0.5621130 1.9809620 1.8894404 -0.4390025 0.2021008 0.0298900 4 1 3.6078579 1.1694647 2.8700392 0.4254853 -0.0398679 -0.1567006 5 1 2.1009289 0.6970063 1.1771253 0.5032467 0.0072849 0.3490854 ITEM: TIMESTEP 12 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.2960453 -0.1035945 2.4925074 -0.4059149 0.0187938 -0.0558701 2 1 1.0676427 2.6253938 0.3263914 -0.1383783 -0.0167077 0.0853738 3 1 -0.6296790 2.0098588 1.8907415 -0.1418859 -0.0362830 -0.1247298 4 1 3.7078579 1.1606684 2.8408946 0.7043078 0.0726421 0.1881983 5 1 2.1335441 0.7256772 1.2732620 -0.0181287 -0.0384451 -0.0929721 ITEM: TIMESTEP 13 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.2401052 -0.1060700 2.4725454 -0.0760591 0.0939783 -0.1363635 2 1 1.0493734 2.6158446 0.3323421 -0.0762034 -0.0145521 0.0989833 3 1 -0.6617317 2.0132568 1.8778055 -0.1760678 -0.0107541 -0.1354939 4 1 3.8078579 1.1661837 2.8535878 0.0718780 -0.0854178 -0.3233811 5 1 2.1398062 0.7287885 1.2875161 0.2564523 0.0167457 0.4962553 ITEM: TIMESTEP 14 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.1787991 -0.0942126 2.4343203 0.2073742 0.0907475 -0.0963284 2 1 1.0216637 2.6051446 0.3524683 0.2324983 -0.2200274 0.1925594 3 1 -0.7166897 2.0146796 1.8459806 -0.2937137 0.0074301 -0.1116480 4 1 3.9078579 1.1583205 2.8165119 0.2792629 -0.0270280 -0.0271563 5 1 2.1837801 0.7340716 1.3745157 -0.4254217 0.1488778 0.0425732 ITEM: TIMESTEP 15 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.1912676 -0.0887563 2.4285285 -0.0276462 0.0411500 0.0109812 2 1 1.0356428 2.5919153 0.3640461 0.0446891 -0.0080764 0.1042910 3 1 -0.7343494 2.0151263 1.8392677 -0.2334086 -0.0145747 -0.1335220 4 1 3.9246487 1.1566954 2.8148791 0.0342596 -0.0834510 -0.2154087 5 1 2.1582013 0.7430230 1.3770754 0.1821060 0.0649522 0.2336584 ITEM: TIMESTEP 16 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.1966462 -0.0768615 2.4256966 -0.1585400 0.1357763 0.0319972 2 1 1.0552346 2.5795053 0.3923276 -0.1638840 0.0901557 0.1232118 3 1 -0.7908066 2.0128850 1.8097800 -0.0198119 -0.1133236 -0.1913632 4 1 3.9447017 1.1403957 2.7749284 0.4590879 0.0095348 0.1448274 5 1 2.1696351 0.7620792 1.4210643 -0.1168519 -0.1221432 -0.1086733 ITEM: TIMESTEP 17 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.1813884 -0.0379424 2.4260400 -0.2759475 0.0650169 0.1273312 2 1 1.0614455 2.5735314 0.4550420 -0.2856835 0.2194783 0.0170968 3 1 -0.8822160 1.9924440 1.7349945 0.0576025 -0.1086683 -0.1663457 4 1 4.0447017 1.1162839 2.7339749 0.1899593 -0.0608138 0.0251382 5 1 2.1700913 0.7736868 1.4737455 0.3140693 -0.1150130 -0.0032206 ITEM: TIMESTEP 18 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.1435793 -0.0166597 2.4411404 0.1680617 0.0712202 -0.0006964 2 1 1.0300118 2.5972594 0.4790228 0.1197073 -0.0984814 0.0857280 3 1 -0.9074609 1.9724989 1.6892265 -0.1553169 -0.0355034 -0.0753056 4 1 4.1020807 1.1006828 2.7225858 0.1670777 -0.0648061 0.0412729 5 1 2.2072002 0.7642222 1.4918214 -0.2995299 0.1275708 -0.0509988 ITEM: TIMESTEP 19 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.1320318 0.0039405 2.4514004 0.2266055 0.0190366 -0.0025120 2 1 1.0187094 2.6051007 0.5027004 0.1825678 -0.0924213 0.0383227 3 1 -0.9379196 1.9558500 1.6515462 -0.2193887 0.0012064 -0.0421978 4 1 4.1554992 1.0845108 2.7183123 -0.1767488 -0.1133395 -0.1577932 5 1 2.2070902 0.7686018 1.4998376 -0.0130359 0.1855178 0.1641802 ITEM: TIMESTEP 20 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.1510284 0.0332043 2.4641861 -0.0210297 0.0913487 0.0030202 2 1 1.0314503 2.6013698 0.5387890 -0.1784274 0.0528655 0.0257156 3 1 -1.0097204 1.9346745 1.5969184 0.1342858 -0.0693634 -0.0746228 4 1 4.1976485 1.0468573 2.6892886 -0.1755414 -0.0848671 -0.1202935 5 1 2.2050042 0.8018979 1.5346148 0.2407127 0.0100162 0.1661805 ITEM: TIMESTEP 21 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.1544589 0.0448050 2.4673716 -0.0090306 0.0738302 0.0156511 2 1 1.0253636 2.6031836 0.5486578 -0.1056369 0.0271517 0.0270420 3 1 -1.0198893 1.9261135 1.5801578 0.1019622 -0.0698426 -0.0535189 4 1 4.1986815 1.0335983 2.6762674 0.0642828 -0.0483393 0.0323795 5 1 2.2167962 0.8103032 1.5513423 -0.0515776 0.0172000 -0.0215538 ITEM: TIMESTEP 22 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.1543557 0.0521026 2.4690368 0.0036822 -0.0083207 0.0572844 2 1 1.0166336 2.6054681 0.5522456 0.0092613 0.0549494 -0.0227227 3 1 -1.0140748 1.9196030 1.5735083 -0.0460794 -0.0336382 -0.0295026 4 1 4.2035592 1.0278983 2.6765197 0.0171784 -0.0469771 0.0040219 5 1 2.2149373 0.8129317 1.5524865 0.0159576 0.0339866 -0.0090811 ITEM: TIMESTEP 23 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.1553525 0.0573423 2.4880114 0.0771677 0.0319640 -0.0247835 2 1 1.0101572 2.6243979 0.5492245 0.0100158 -0.0260402 0.0360157 3 1 -1.0217508 1.9025933 1.5575936 0.0128799 -0.0127793 -0.0380906 4 1 4.2138926 1.0077411 2.6779956 -0.0249018 -0.0194773 -0.0484535 5 1 2.2177595 0.8259291 1.5509719 -0.0751616 0.0263328 0.0753119 ITEM: TIMESTEP 24 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.1684486 0.0677672 2.5037936 -0.0387263 0.0012528 -0.0078576 2 1 1.0050137 2.6399374 0.5517251 0.0257443 -0.0217603 0.0337599 3 1 -1.0276892 1.8829744 1.5351521 0.0200305 -0.0126545 -0.0178927 4 1 4.2207046 0.9838146 2.6719498 -0.0492757 0.0127240 -0.0750822 5 1 2.2089333 0.8435102 1.5611763 0.0422272 0.0204380 0.0670726 ITEM: TIMESTEP 25 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.1684110 0.0700616 2.5065604 -0.0253568 -0.0138195 0.0015439 2 1 1.0057918 2.6416455 0.5546999 0.0349327 -0.0095960 0.0278292 3 1 -1.0274932 1.8779104 1.5291119 0.0034922 0.0002094 -0.0200447 4 1 4.2185742 0.9796788 2.6652316 0.0479181 0.0264642 -0.0174242 5 1 2.2101272 0.8487074 1.5681931 -0.0609862 -0.0032581 0.0080958 ITEM: TIMESTEP 26 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.1644524 0.0703723 2.5097488 -0.0413931 -0.0432412 0.0303483 2 1 1.0120196 2.6419838 0.5621719 -0.0073160 0.0525811 -0.0152652 3 1 -1.0267445 1.8725437 1.5195745 -0.0129609 0.0161649 -0.0220405 4 1 4.2237077 0.9793589 2.6553763 0.0151422 0.0171621 -0.0205800 5 1 2.2019757 0.8537450 1.5769254 0.0465278 -0.0426669 0.0275375 ITEM: TIMESTEP 27 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.1527894 0.0641753 2.5186851 -0.0039176 0.0105862 0.0130102 2 1 1.0192863 2.6504836 0.5698979 -0.0215935 -0.0053764 0.0021438 3 1 -1.0277193 1.8677902 1.5033600 0.0304956 -0.0155470 -0.0000519 4 1 4.2329368 0.9815538 2.6389573 0.0300296 -0.0175884 0.0374064 5 1 2.1981178 0.8540008 1.5928965 -0.0350141 0.0279255 -0.0525085 ITEM: TIMESTEP 28 ITEM: NUMBER OF ATOMS 5 ITEM: BOX BOUNDS ff ff ff -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 -2.5000000000000000e+01 2.5000000000000000e+01 ITEM: ATOMS id type x y z fx fy fz 1 1 0.1517282 0.0637709 2.5196242 0.0002204 0.0128143 0.0107352 2 1 1.0196449 2.6511533 0.5705952 -0.0214900 -0.0038463 -0.0005293 3 1 -1.0274199 1.8671821 1.5019526 0.0284964 -0.0166745 0.0021996 4 1 4.2341156 0.9815228 2.6380038 0.0197548 -0.0193944 0.0336995 5 1 2.1973422 0.8543747 1.5936210 -0.0269816 0.0271009 -0.0461051