ITEM: TIMESTEP 0 ITEM: NUMBER OF ATOMS 4 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 1.3821850 0.3943114 1.0752160 13.4343626 -25.9635116 -3.4737100 2 1 0.9807846 1.4864610 2.7538240 -28.6171878 -36.7399839 31.5915944 3 1 0.4919570 1.8945040 0.6685531 -16.7481595 18.3860870 -15.4906201 4 1 1.7944180 2.6813830 2.2380400 31.9309847 44.3174085 -12.6272643 ITEM: TIMESTEP 1 ITEM: NUMBER OF ATOMS 4 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 1.4124990 0.3357260 1.0673777 8.7481805 -19.1449103 -3.9827664 2 1 0.9162114 1.4035591 2.8251088 -13.5748310 -15.2872587 17.4661182 3 1 0.4541656 1.9359913 0.6335993 -10.6941917 11.9440221 -9.4134830 4 1 1.8664687 2.7813830 2.2095472 15.5208423 22.4881469 -4.0698688 ITEM: TIMESTEP 2 ITEM: NUMBER OF ATOMS 4 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 1.4514003 0.2505927 1.0496672 3.0863610 -14.7195687 -4.3009928 2 1 0.8558470 1.3355799 2.9027769 -5.3466649 -5.8910176 7.8256349 3 1 0.4066108 1.9891038 0.5917395 -4.6854696 5.9911000 -4.2743979 4 1 1.9354865 2.8813830 2.1914494 6.9457735 14.6194863 0.7497558 ITEM: TIMESTEP 3 ITEM: NUMBER OF ATOMS 4 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 1.4723680 0.1505927 1.0204477 1.7383399 -4.0559311 -0.6770222 2 1 0.8195235 1.2955582 2.9559418 -2.1499962 -2.6759396 3.3917794 3 1 0.3747793 2.0298054 0.5627007 -1.7624635 2.9871372 -1.7427080 4 1 1.9826739 2.9807031 2.1965430 2.1741199 3.7447334 -0.9720492 ITEM: TIMESTEP 4 ITEM: NUMBER OF ATOMS 4 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 1.5152272 0.0505927 1.0037555 0.1536564 -1.0196912 -0.1441292 2 1 0.7665148 1.2295823 3.0395670 -0.3052950 -0.4981576 0.3685069 3 1 0.3313253 2.1034540 0.5197338 0.0606065 0.6593946 0.0889409 4 1 2.0362774 3.0730304 2.1725769 0.0910321 0.8584543 -0.3133185 ITEM: TIMESTEP 5 ITEM: NUMBER OF ATOMS 4 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 1.5255819 -0.0181230 0.9940428 -0.3183737 -0.1214825 0.0390642 2 1 0.7459413 1.1960120 3.0644002 0.1661651 0.1050087 -0.6452953 3 1 0.3354095 2.1478898 0.5257274 0.4986274 -0.1548100 0.6484247 4 1 2.0424119 3.1308806 2.1514627 -0.3464188 0.1712838 -0.0421936 ITEM: TIMESTEP 6 ITEM: NUMBER OF ATOMS 4 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 1.5015301 -0.0886002 0.9898724 -0.3281917 -0.0249169 -0.0859866 2 1 0.7456981 1.1785072 3.0188950 0.2829913 0.1176234 -0.0734627 3 1 0.3902044 2.1694319 0.5975595 0.0619613 -0.3574227 -0.2428824 4 1 2.0119119 3.1973205 2.1293062 -0.0167609 0.2647162 0.4023317 ITEM: TIMESTEP 7 ITEM: NUMBER OF ATOMS 4 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 1.4165134 -0.1409191 0.9690217 -0.0988574 -0.4238460 -0.1423959 2 1 0.8049879 1.1915234 2.9730605 0.2570389 0.1032640 0.3382577 3 1 0.4398289 2.1087346 0.5945230 0.1373546 0.3130753 -0.2706097 4 1 1.9880143 3.2973205 2.1990278 -0.2955361 0.0075067 0.0747479 ITEM: TIMESTEP 8 ITEM: NUMBER OF ATOMS 4 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 1.3453120 -0.2409191 0.9332731 -0.2959800 0.2934003 0.2403621 2 1 0.8837548 1.2160642 2.9952748 0.2083252 -0.2161767 -0.3179410 3 1 0.4937170 2.1172786 0.5506443 0.3691361 -0.0728248 0.1925979 4 1 1.9265608 3.3642358 2.2564409 -0.2814814 -0.0043988 -0.1150191 ITEM: TIMESTEP 9 ITEM: NUMBER OF ATOMS 4 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 1.2453120 -0.2995913 0.9279220 -0.2138530 0.3676657 0.2466688 2 1 0.9806449 1.2138363 2.9791591 0.0816623 -0.3972852 -0.2454146 3 1 0.5861373 2.1167841 0.5322639 0.2438471 -0.1392281 0.1166712 4 1 1.8372505 3.4256303 2.2962882 -0.1116564 0.1688476 -0.1179254 ITEM: TIMESTEP 10 ITEM: NUMBER OF ATOMS 4 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 1.2287744 -0.2777231 0.9435616 -0.1225071 -0.0316712 0.0348353 2 1 0.9886309 1.1883383 2.9629887 0.1177379 -0.1007856 0.0446839 3 1 0.6043793 2.1078565 0.5392101 0.1387601 0.0799395 -0.0487314 4 1 1.8275599 3.4381876 2.2898727 -0.1339910 0.0525174 -0.0307879 ITEM: TIMESTEP 11 ITEM: NUMBER OF ATOMS 4 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 1.1853308 -0.2889544 0.9559150 -0.1303542 0.0702430 -0.0591196 2 1 1.0303833 1.1525976 2.9788346 0.1227620 0.1811585 -0.1038959 3 1 0.6535867 2.1362048 0.5219289 0.0615585 -0.2678255 -0.0330033 4 1 1.7800438 3.4568114 2.2789546 -0.0539662 0.0164240 0.1960189 ITEM: TIMESTEP 12 ITEM: NUMBER OF ATOMS 4 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 1.1732818 -0.2824617 0.9504504 -0.0826474 -0.1342725 -0.0252594 2 1 1.0417305 1.1693425 2.9692312 0.0861580 0.0122623 0.0194924 3 1 0.6592767 2.1114490 0.5188783 0.0700078 0.0485304 -0.0392667 4 1 1.7750556 3.4583295 2.2970731 -0.0735183 0.0734798 0.0450338 ITEM: TIMESTEP 13 ITEM: NUMBER OF ATOMS 4 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 1.1439441 -0.3165605 0.9405567 -0.1044483 0.1623312 0.1198071 2 1 1.0716829 1.1814783 2.9696747 0.0553506 -0.1581847 -0.1722364 3 1 0.6817776 2.1121129 0.5063311 0.1373538 -0.0678014 0.1058856 4 1 1.7519400 3.4796287 2.3190706 -0.0882561 0.0636548 -0.0534562 ITEM: TIMESTEP 14 ITEM: NUMBER OF ATOMS 4 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 1.0439441 -0.3649790 0.9438846 -0.0515336 0.2078647 0.0814594 2 1 1.1615209 1.1747127 2.9296454 0.0512181 -0.1142665 -0.0175177 3 1 0.7721554 2.0976067 0.4995450 0.1080417 0.0050652 0.0632833 4 1 1.6717242 3.5493190 2.3625580 -0.1077263 -0.0986634 -0.1272249 ITEM: TIMESTEP 15 ITEM: NUMBER OF ATOMS 4 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 1.0350811 -0.3482425 0.9513821 -0.0454596 -0.0021383 -0.0191134 2 1 1.1699277 1.1641075 2.9263786 0.0637222 -0.0345392 0.1417490 3 1 0.7857172 2.0974537 0.5049752 0.0391585 0.0567430 -0.0976599 4 1 1.6586186 3.5433407 2.3528973 -0.0574211 -0.0200655 -0.0249757 ITEM: TIMESTEP 16 ITEM: NUMBER OF ATOMS 4 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 0.9814526 -0.3134522 0.9532486 -0.0151372 0.5452257 0.2900262 2 1 1.2363633 1.1149406 3.0263786 0.2327321 -0.3204916 0.7105281 3 1 0.8448057 2.1399962 0.4429947 -0.1712586 0.0639212 -1.2553252 4 1 1.5867230 3.5151749 2.3130112 -0.0463364 -0.2886553 0.2547710 ITEM: TIMESTEP 17 ITEM: NUMBER OF ATOMS 4 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 0.9405559 -0.2813533 0.9576828 0.0721974 1.5551364 0.7479716 2 1 1.2892518 1.0742577 3.1097335 0.5264548 -0.8712544 2.0991648 3 1 0.8879115 2.1729785 0.3828558 -0.3538785 0.5750400 -3.0483745 4 1 1.5316254 3.4907766 2.2853611 -0.2447738 -1.2589220 0.2012381 ITEM: TIMESTEP 18 ITEM: NUMBER OF ATOMS 4 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 0.9306870 -0.2727004 0.9591781 0.0977062 1.6255364 0.7745466 2 1 1.3023633 1.0639096 3.1311122 0.0314589 0.4509211 -1.1622611 3 1 0.8981573 2.1812939 0.3665683 0.1040942 -0.7635595 0.1563707 4 1 1.5181370 3.4841563 2.2787745 -0.2332593 -1.3128980 0.2313438 ITEM: TIMESTEP 19 ITEM: NUMBER OF ATOMS 4 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 0.9282180 -0.2697441 0.9599173 0.1051631 1.6256614 0.7769099 2 1 1.3057181 1.0614820 3.1360210 0.0226498 0.4579272 -1.1750817 3 1 0.9008156 2.1830592 0.3624913 0.0966002 -0.7723978 0.1530259 4 1 1.5145929 3.4818624 2.2772035 -0.2244131 -1.3111908 0.2451459 ITEM: TIMESTEP 20 ITEM: NUMBER OF ATOMS 4 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 0.9305560 -0.2250888 0.9811188 0.0750382 1.1685983 0.6368411 2 1 1.3070263 1.0733858 3.1052012 0.4445539 -0.7654600 1.9187792 3 1 0.9039831 2.1624983 0.3657932 -0.3479645 0.6007270 -2.7950704 4 1 1.5077793 3.4458640 2.2835199 -0.1716276 -1.0038654 0.2394500 ITEM: TIMESTEP 21 ITEM: NUMBER OF ATOMS 4 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 0.9360911 -0.1250888 1.0303692 -0.0054553 0.2604745 0.3295174 2 1 1.3188224 1.0767705 3.0950760 0.0722189 0.1065012 -0.2332129 3 1 0.9017657 2.1410633 0.3109208 0.1036336 0.1851109 -0.0020200 4 1 1.4926654 3.3639144 2.2992672 -0.1703972 -0.5520865 -0.0942845 ITEM: TIMESTEP 22 ITEM: NUMBER OF ATOMS 4 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 0.9358416 -0.1131741 1.0454421 -0.0356412 0.1544005 0.1520180 2 1 1.3221258 1.0816421 3.0844082 0.0862705 -0.0110602 0.0215343 3 1 0.9065062 2.1495308 0.3108284 0.0522057 0.0878261 -0.1660284 4 1 1.4848710 3.3386606 2.2949544 -0.1028350 -0.2311665 -0.0075238 ITEM: TIMESTEP 23 ITEM: NUMBER OF ATOMS 4 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 0.9288588 -0.0829243 1.0752251 -0.0708688 0.0386378 -0.1299861 2 1 1.3390277 1.0794752 3.0886272 0.0965138 -0.1815856 0.3764048 3 1 0.9167342 2.1667374 0.2783006 0.0118726 -0.0184426 -0.2131631 4 1 1.4647239 3.2933711 2.2934803 -0.0375176 0.1613904 -0.0332556 ITEM: TIMESTEP 24 ITEM: NUMBER OF ATOMS 4 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 0.9227131 -0.0795737 1.0639527 -0.0131907 0.1751249 0.1117613 2 1 1.3473974 1.0637281 3.1212689 0.0515103 0.0136701 -0.0090433 3 1 0.9177638 2.1651381 0.2598151 0.0491998 0.0573521 -0.0335385 4 1 1.4614704 3.3073669 2.2905964 -0.0875194 -0.2461471 -0.0691795 ITEM: TIMESTEP 25 ITEM: NUMBER OF ATOMS 4 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 0.9029057 -0.0068947 1.0777191 0.0469127 -0.0225991 0.2821744 2 1 1.3867335 1.0304671 3.1973240 -0.0299905 0.0955920 -0.2304362 3 1 0.9383969 2.1823814 0.2024987 -0.0241967 0.1424632 -0.2164138 4 1 1.4213085 3.2507056 2.2580913 0.0072746 -0.2154561 0.1646757 ITEM: TIMESTEP 26 ITEM: NUMBER OF ATOMS 4 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 0.8991068 0.0214290 1.1106391 0.0152704 0.0199659 -0.0177809 2 1 1.4003549 1.0257054 3.2070719 -0.0074913 -0.0218383 0.0593565 3 1 0.9447274 2.2033212 0.1576299 -0.0298414 -0.0165677 -0.0638207 4 1 1.4051554 3.2062038 2.2602922 0.0220623 0.0184401 0.0222452 ITEM: TIMESTEP 27 ITEM: NUMBER OF ATOMS 4 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 0.9005858 0.0261856 1.1113334 0.0200834 0.0336003 0.0081824 2 1 1.4006264 1.0227260 3.2148992 -0.0137519 -0.0078871 0.0128825 3 1 0.9417446 2.2031426 0.1462981 -0.0059859 0.0234247 0.0416161 4 1 1.4063879 3.2046052 2.2631025 -0.0003456 -0.0491379 -0.0626810 ITEM: TIMESTEP 28 ITEM: NUMBER OF ATOMS 4 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 0.9076496 0.0426920 1.1143997 0.0136332 0.0012325 0.0329561 2 1 1.3984275 1.0150243 3.2335610 -0.0116862 0.0286982 -0.0361424 3 1 0.9344171 2.2074713 0.1313608 0.0077774 0.0510706 0.0576983 4 1 1.4088504 3.1914718 2.2563116 -0.0097244 -0.0810013 -0.0545120 ITEM: TIMESTEP 29 ITEM: NUMBER OF ATOMS 4 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 0.9101347 0.0466230 1.1171348 0.0042920 -0.0076604 0.0011084 2 1 1.3971980 1.0149834 3.2357060 -0.0034861 0.0098839 0.0023802 3 1 0.9331820 2.2116109 0.1314063 -0.0050435 0.0098971 -0.0062504 4 1 1.4088299 3.1834421 2.2513860 0.0042376 -0.0121206 0.0027618 ITEM: TIMESTEP 30 ITEM: NUMBER OF ATOMS 4 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 0.9104786 0.0460093 1.1172236 0.0047239 0.0048751 0.0003657 2 1 1.3969187 1.0157753 3.2358967 -0.0039317 -0.0035389 0.0031983 3 1 0.9327780 2.2124039 0.1309056 -0.0043265 -0.0006032 -0.0003528 4 1 1.4091694 3.1824710 2.2516073 0.0035343 -0.0007330 -0.0032112 ITEM: TIMESTEP 31 ITEM: NUMBER OF ATOMS 4 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 0.9135811 0.0476736 1.1175624 -0.0010595 0.0005204 -0.0036099 2 1 1.3943474 1.0151169 3.2379304 0.0013855 0.0009191 0.0046572 3 1 0.9297949 2.2133361 0.1299197 -0.0004664 -0.0021693 -0.0038186 4 1 1.4116212 3.1805329 2.2502205 0.0001404 0.0007298 0.0027713 ITEM: TIMESTEP 32 ITEM: NUMBER OF ATOMS 4 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 0.9137095 0.0478114 1.1173556 -0.0004536 0.0009532 0.0007913 2 1 1.3942730 1.0151335 3.2383529 0.0007263 -0.0004721 0.0004427 3 1 0.9295775 2.2132576 0.1296162 0.0006111 0.0005726 -0.0006995 4 1 1.4117845 3.1804569 2.2503084 -0.0008838 -0.0010538 -0.0005345