ITEM: TIMESTEP 0 ITEM: NUMBER OF ATOMS 7 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 2.8454450 0.9973996 1.8338510 3.6528742 1.7032194 1.9005087 2 1 2.2582390 2.4969910 3.5803100 -2.1925213 -4.0480771 2.0235054 3 1 1.7829400 4.2707580 1.6967200 -13.2819655 -1.6015995 -4.8119915 4 1 2.6784940 4.4772210 3.7261600 7.5487705 -6.7075744 14.3917173 5 1 4.6417300 2.4156600 3.4897520 -9.5259274 5.0876905 -1.9606024 6 1 3.5289670 5.4750600 1.6286460 10.1443301 18.1623294 -5.0524468 7 1 3.4437760 3.1314750 0.8054665 3.6544394 -12.5959883 -6.4906906 ITEM: TIMESTEP 1 ITEM: NUMBER OF ATOMS 7 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 2.8655574 1.0067774 1.8443150 3.1125699 0.2570984 1.2584625 2 1 2.2461672 2.4747027 3.5914512 -4.0796263 -0.5391011 -0.4013863 3 1 1.7098108 4.2619398 1.6702256 -5.5109436 -2.8010164 0.1092335 4 1 2.7200568 4.4402898 3.8053994 7.6622283 -1.4572797 2.4538737 5 1 4.5892812 2.4436723 3.4789571 -6.0391077 3.3553735 -1.5202367 6 1 3.5848207 5.5750600 1.6008277 2.7408104 2.4245749 0.3231997 7 1 3.4638970 3.0621227 0.7697294 2.1140691 -1.2396495 -2.2231464 ITEM: TIMESTEP 2 ITEM: NUMBER OF ATOMS 7 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 2.9061796 1.0101328 1.8607393 2.1126926 -0.8188724 0.1252640 2 1 2.1929239 2.4676669 3.5862127 -6.5392187 -1.0331444 0.1674203 3 1 1.6378873 4.2253836 1.6716513 -2.1311842 -1.6016595 0.9091924 4 1 2.8200568 4.4212707 3.8374250 1.0970424 7.0127819 -0.0652151 5 1 4.5104646 2.4874634 3.4591165 4.0850125 -3.2438641 -1.8560291 6 1 3.6205911 5.6067032 1.6050458 0.0582311 -3.3490277 1.1669886 7 1 3.4914878 3.0459440 0.7407150 1.3174243 3.0337861 -0.4476212 ITEM: TIMESTEP 3 ITEM: NUMBER OF ATOMS 7 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 2.9523830 1.0035568 1.8717943 1.1161564 -0.8637583 -0.5539642 2 1 2.0929239 2.4526842 3.5848562 -4.9911567 -0.7323295 0.0672644 3 1 1.5729193 4.1869388 1.6820087 0.1904878 -0.7681513 1.5611809 4 1 2.8908639 4.4833515 3.8557436 1.5627999 3.6417086 -1.7172262 5 1 4.5064382 2.4795088 3.4279279 2.4043489 -0.5037321 -0.4984669 6 1 3.6424230 5.5904411 1.6197570 -0.7961944 -3.9163031 0.7865795 7 1 3.5216398 3.0680834 0.7188179 0.5135582 3.1425658 0.3546325 ITEM: TIMESTEP 4 ITEM: NUMBER OF ATOMS 7 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 2.9676796 0.9917193 1.8642023 1.7308069 1.1561499 0.8326153 2 1 2.0245214 2.4426478 3.5857780 -1.6585410 -0.7984369 -0.4875175 3 1 1.5755299 4.1764115 1.7034042 -2.8228666 -1.3182994 0.8237777 4 1 2.9122816 4.5332601 3.8322095 2.6520388 0.0591708 0.5334171 5 1 4.5393891 2.4726053 3.4210966 -2.5041679 0.6055703 -0.8605563 6 1 3.6315113 5.5367692 1.6305368 1.6519843 1.0514928 -0.0964911 7 1 3.5286780 3.1111513 0.7236781 0.9507454 -0.7556475 -0.7452452 ITEM: TIMESTEP 5 ITEM: NUMBER OF ATOMS 7 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 3.0240876 1.0105432 1.8785563 0.6000486 0.2415663 -0.1248827 2 1 1.9245214 2.4140787 3.5743612 0.0403857 0.5662638 -0.5286871 3 1 1.5070916 4.1344081 1.7423189 0.6811597 -0.5796227 1.5602461 4 1 2.9969855 4.5774093 3.8254437 1.0786609 -1.5654394 -1.0803824 5 1 4.5048680 2.4818638 3.3937124 -2.3268739 1.5883592 0.3305718 6 1 3.6635400 5.5172081 1.6373371 -0.0053303 -0.7298607 -0.1750685 7 1 3.5584969 3.1290535 0.7091760 -0.0680507 0.4787335 0.0182028 ITEM: TIMESTEP 6 ITEM: NUMBER OF ATOMS 7 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 3.0471330 1.0190763 1.8787606 0.1405576 -0.6676388 -0.8711859 2 1 1.9061810 2.4201504 3.5613929 -2.2172622 -0.8202634 0.5060816 3 1 1.5078656 4.1145396 1.7815912 -0.4486326 -0.0461618 0.1701094 4 1 3.0352129 4.5539495 3.8021173 0.4623506 1.0063002 0.5854327 5 1 4.4508055 2.5160260 3.3952052 1.3116230 0.4960509 -0.2070626 6 1 3.6695693 5.4985769 1.6350705 0.4419464 0.2957149 -0.4483323 7 1 3.5628237 3.1422460 0.7067680 0.3094171 -0.2640020 0.2649571 ITEM: TIMESTEP 7 ITEM: NUMBER OF ATOMS 7 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 3.0774199 1.0120802 1.8569535 0.1761171 0.9950930 0.6681282 2 1 1.8288037 2.4064373 3.5591567 0.0178556 -1.1561038 -0.1784371 3 1 1.4974113 4.0903262 1.8314472 0.4394888 0.4119148 -0.2892635 4 1 3.0912516 4.5522014 3.7898745 -0.2327073 0.8705494 0.6222790 5 1 4.4212875 2.5682023 3.3916972 -1.2471387 -0.0858581 -4.3050106 6 1 3.6877453 5.4844494 1.6210971 -0.1016570 0.1149100 -0.4063728 7 1 3.5756717 3.1508678 0.7106793 0.9480415 -1.1505054 3.8886768 ITEM: TIMESTEP 8 ITEM: NUMBER OF ATOMS 7 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 3.1042880 1.0122434 1.8424965 -0.3362291 1.3029697 1.4974633 2 1 1.7630372 2.3876529 3.5561556 2.4306700 -0.4833187 -0.6687794 3 1 1.4912136 4.0722449 1.8721139 1.5700007 0.6102450 -0.4989607 4 1 3.1375299 4.5560667 3.7832783 -1.1656826 -0.1448309 0.3845646 5 1 4.3884875 2.6120954 3.3622366 -2.8667014 -0.1995595 -5.8385576 6 1 3.7025946 5.4731284 1.6067017 -0.5824298 -0.0745481 -0.3427484 7 1 3.5924401 3.1511329 0.7379230 0.9503721 -1.0109575 5.4670182 ITEM: TIMESTEP 9 ITEM: NUMBER OF ATOMS 7 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 3.1232471 1.0203163 1.8403232 -1.3638700 -0.6997225 1.0452765 2 1 1.7264334 2.3700175 3.5497308 3.0391185 0.1561927 -0.4721140 3 1 1.4959409 4.0618276 1.9008703 1.8339944 0.6266171 -0.7438339 4 1 3.1666087 4.5582060 3.7804654 -1.8169581 -0.5052454 0.5849293 5 1 4.3453594 2.6452003 3.3035980 -0.8499706 -0.4612589 -1.0032336 6 1 3.7106544 5.4638215 1.5933553 -0.6198454 0.3625832 -0.3349760 7 1 3.6113471 3.1451756 0.7925626 -0.2224688 0.5208338 0.9239517 ITEM: TIMESTEP 10 ITEM: NUMBER OF ATOMS 7 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 3.0958208 1.0062454 1.8613428 -1.0057541 -2.3364624 -0.5180699 2 1 1.7875477 2.3731584 3.5402370 -0.2399741 -0.5751665 0.8656569 3 1 1.5328210 4.0744283 1.8859124 -1.0109492 0.3164027 -1.0161962 4 1 3.1300711 4.5480459 3.7922278 -0.5924306 1.0688355 1.6008595 5 1 4.3282671 2.6359247 3.2834238 1.5161432 0.0864071 -0.4381301 6 1 3.6981898 5.4711128 1.5866192 0.6407879 1.6931372 -0.4015299 7 1 3.6068735 3.1556491 0.8111425 0.6921769 -0.2531536 -0.0925903 ITEM: TIMESTEP 11 ITEM: NUMBER OF ATOMS 7 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 3.0437480 0.9340505 1.8690523 -0.1423180 0.0427811 -0.1813159 2 1 1.8415981 2.3618754 3.5525352 -0.3612431 -0.2673631 0.1924846 3 1 1.5438005 4.0947132 1.8458292 0.7511139 0.5543911 0.2023927 4 1 3.0793723 4.5647654 3.8437777 -0.5636564 1.0363857 -1.0160496 5 1 4.3493505 2.6289700 3.2526569 0.6406439 -0.2288827 -1.3757896 6 1 3.7019515 5.5205749 1.5699698 -0.6897504 -0.3163148 1.0484663 7 1 3.6197702 3.1596152 0.8270844 0.3652101 -0.8209973 1.1298116 ITEM: TIMESTEP 12 ITEM: NUMBER OF ATOMS 7 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 3.0187244 0.9047154 1.8682405 -0.1125130 0.3123400 0.0802536 2 1 1.8562133 2.3511747 3.5619908 0.6020971 0.5419599 -0.2731525 3 1 1.5651698 4.1155964 1.8335289 -0.4113302 -0.2754971 0.3888788 4 1 3.0455219 4.5949095 3.8427303 -0.2855734 -0.3110047 -0.4290564 5 1 4.3724936 2.6209441 3.2090445 -0.2974607 0.0196314 -0.2533994 6 1 3.6881364 5.5342678 1.5863833 0.2183078 0.4690244 0.4377565 7 1 3.6333316 3.1429567 0.8589872 0.2864724 -0.7564538 0.0487194 ITEM: TIMESTEP 13 ITEM: NUMBER OF ATOMS 7 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 3.0132495 0.9047668 1.8692848 -0.2761369 -0.3670741 -0.1424496 2 1 1.8672226 2.3574271 3.5594623 -0.0283628 0.1120486 0.0602050 3 1 1.5624554 4.1147857 1.8373066 -0.1420667 -0.0847353 -0.1488320 4 1 3.0361734 4.5950015 3.8363212 0.0561416 0.1221457 -0.0611805 5 1 4.3717095 2.6199996 3.1986680 0.3730652 0.1898528 0.2277188 6 1 3.6891978 5.5431977 1.5952749 -0.0509456 -0.1439549 0.2624761 7 1 3.6395827 3.1293862 0.8645877 0.0683052 0.1717172 -0.1979378 ITEM: TIMESTEP 14 ITEM: NUMBER OF ATOMS 7 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 3.0069397 0.8991529 1.8674938 -0.0945373 0.1618969 0.0672531 2 1 1.8709537 2.3615129 3.5594294 0.0828509 -0.0981889 -0.0380526 3 1 1.5592479 4.1131785 1.8364521 -0.0156979 -0.0759690 -0.2909812 4 1 3.0334972 4.5969109 3.8329567 0.1249238 0.1624258 0.1149042 5 1 4.3771382 2.6225558 3.1982358 0.0514203 -0.0307378 -0.0286386 6 1 3.6888176 5.5443679 1.6026681 -0.0803469 -0.2744368 0.1058856 7 1 3.6429967 3.1268859 0.8636695 -0.0686127 0.1550100 0.0696296 ITEM: TIMESTEP 15 ITEM: NUMBER OF ATOMS 7 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 3.0002865 0.9003461 1.8683257 0.0069485 0.2239315 0.0319279 2 1 1.8756671 2.3612122 3.5583088 0.1518544 0.1997159 -0.0465837 3 1 1.5568014 4.1099835 1.8275082 -0.1221859 -0.1990625 0.0282853 4 1 3.0354464 4.6027932 3.8341888 -0.0870174 -0.1966486 0.0780438 5 1 4.3819975 2.6232551 3.1971394 -0.1037134 -0.0086557 -0.0582557 6 1 3.6862583 5.5371601 1.6103225 0.1517542 0.1448425 -0.0257449 7 1 3.6431338 3.1298143 0.8651122 0.0023596 -0.1641231 -0.0076727 ITEM: TIMESTEP 16 ITEM: NUMBER OF ATOMS 7 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 2.9967233 0.9040822 1.8692222 -0.0141635 -0.0143017 -0.0784383 2 1 1.8803477 2.3637937 3.5570518 -0.0531105 0.1966682 0.0753735 3 1 1.5537755 4.1054887 1.8229788 0.0412395 -0.0997563 0.1197271 4 1 3.0353216 4.6033234 3.8359397 -0.1367837 -0.1639644 -0.0425566 5 1 4.3832432 2.6235206 3.1957351 0.0812641 0.0662982 0.0267618 6 1 3.6869381 5.5351886 1.6141777 0.0637003 0.0742317 -0.0062316 7 1 3.6432417 3.1291674 0.8658000 0.0178539 -0.0591756 -0.0946359 ITEM: TIMESTEP 17 ITEM: NUMBER OF ATOMS 7 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 2.9955744 0.9047647 1.8680429 0.0100641 0.0976696 0.0066155 2 1 1.8805726 2.3679641 3.5580857 -0.0790410 -0.0732335 0.0818490 3 1 1.5537537 4.1025730 1.8239848 0.0853765 0.0070235 -0.0379866 4 1 3.0328408 4.6005204 3.8356176 -0.0150575 0.0553496 0.0127142 5 1 4.3850114 2.6247745 3.1958616 0.0311533 -0.0182595 -0.0573293 6 1 3.6882496 5.5360225 1.6150347 -0.0344041 -0.0804005 0.0146978 7 1 3.6435885 3.1279452 0.8642782 0.0019087 0.0118508 -0.0205605 ITEM: TIMESTEP 18 ITEM: NUMBER OF ATOMS 7 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 2.9949672 0.9082562 1.8673073 -0.0248590 0.0682507 0.0524894 2 1 1.8783635 2.3690598 3.5613780 0.0440307 -0.1131696 0.0485294 3 1 1.5563152 4.1004727 1.8236354 -0.0512689 -0.0177464 -0.0816928 4 1 3.0304184 4.5999691 3.8357461 0.0456201 0.0369417 0.0874661 5 1 4.3873548 2.6252175 3.1942303 -0.0994050 0.0099869 -0.0275472 6 1 3.6882507 5.5342555 1.6161584 0.0367491 0.0024263 -0.0119739 7 1 3.6439212 3.1273338 0.8624501 0.0491329 0.0133105 -0.0672710 ITEM: TIMESTEP 19 ITEM: NUMBER OF ATOMS 7 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 2.9938028 0.9129677 1.8680905 -0.0825101 -0.1054952 -0.0225829 2 1 1.8776986 2.3669642 3.5654004 0.0617025 0.0511997 0.0368074 3 1 1.5570806 4.0982574 1.8211757 0.0619259 -0.0398496 0.0526898 4 1 3.0296184 4.6004924 3.8381756 -0.0237434 -0.0676825 -0.0552256 5 1 4.3866608 2.6258506 3.1921442 -0.0651356 0.1142037 0.0585799 6 1 3.6892275 5.5328527 1.6167734 -0.0032002 -0.0433128 0.0263221 7 1 3.6455023 3.1271796 0.8591458 0.0509609 0.0909367 -0.0965907 ITEM: TIMESTEP 20 ITEM: NUMBER OF ATOMS 7 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 2.9881554 0.9187330 1.8688525 -0.0316172 0.0184865 -0.0663388 2 1 1.8787055 2.3645664 3.5752565 -0.0315212 0.0856410 -0.0188632 3 1 1.5610920 4.0920679 1.8180733 0.0649303 -0.1186411 0.1559008 4 1 3.0270197 4.5989562 3.8411162 -0.0864275 0.0177282 -0.0670618 5 1 4.3826741 2.6316179 3.1900531 0.0132346 0.0491060 -0.0679868 6 1 3.6911488 5.5282303 1.6190852 0.0364336 0.0384608 0.0369147 7 1 3.6507955 3.1303931 0.8484686 0.0349674 -0.0907814 0.0274351 ITEM: TIMESTEP 21 ITEM: NUMBER OF ATOMS 7 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 2.9873891 0.9191810 1.8672447 -0.0513107 -0.0078863 -0.0214721 2 1 1.8779416 2.3666420 3.5747993 -0.0247807 -0.0935351 0.0440250 3 1 1.5626656 4.0891925 1.8218517 -0.0071823 -0.0371366 -0.0624880 4 1 3.0249250 4.5993858 3.8394909 0.0317801 0.1173210 0.0844319 5 1 4.3829948 2.6328080 3.1884054 0.0095666 0.0265552 -0.0202749 6 1 3.6920318 5.5291624 1.6199799 0.0107731 -0.0350761 -0.0005406 7 1 3.6516430 3.1281929 0.8491335 0.0311539 0.0297579 -0.0236813 ITEM: TIMESTEP 22 ITEM: NUMBER OF ATOMS 7 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 2.9856601 0.9193032 1.8656387 -0.0386262 0.0448541 0.0285774 2 1 1.8768365 2.3658708 3.5755187 0.1035383 -0.0431401 0.0269918 3 1 1.5635761 4.0863499 1.8229764 0.0359088 -0.0043542 -0.0662323 4 1 3.0242344 4.6024326 3.8403572 0.0188367 0.0018442 0.0424517 5 1 4.3834392 2.6342469 3.1868001 -0.1160671 0.0237516 -0.0002033 6 1 3.6928899 5.5289786 1.6205806 -0.0238509 -0.0840907 0.0018118 7 1 3.6529549 3.1273825 0.8490339 0.0202605 0.0611351 -0.0333971 ITEM: TIMESTEP 23 ITEM: NUMBER OF ATOMS 7 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 2.9821231 0.9211435 1.8647870 -0.0340263 -0.0323903 -0.0487829 2 1 1.8794172 2.3633150 3.5774025 0.0009149 0.0892216 0.0778716 3 1 1.5660263 4.0827684 1.8218277 -0.0315001 -0.0401904 0.0435069 4 1 3.0241154 4.6061649 3.8430015 -0.0723157 -0.0913485 0.0029390 5 1 4.3795911 2.6368735 3.1848626 0.0347412 0.0515267 0.0553580 6 1 3.6930210 5.5255828 1.6213711 0.0519006 0.0669920 0.0014121 7 1 3.6552969 3.1287165 0.8476532 0.0502854 -0.0438111 -0.1323048 ITEM: TIMESTEP 24 ITEM: NUMBER OF ATOMS 7 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 2.9773768 0.9223714 1.8626378 0.0314345 0.1112053 -0.0310379 2 1 1.8822875 2.3627064 3.5814116 -0.0939335 0.0545194 0.0770733 3 1 1.5679492 4.0778199 1.8216387 0.0525586 -0.0172848 0.0665359 4 1 3.0221915 4.6080189 3.8459922 -0.0998235 -0.0363041 -0.0556289 5 1 4.3762061 2.6410491 3.1840969 0.0935152 -0.0240433 -0.0457357 6 1 3.6944522 5.5234963 1.6222785 0.0044314 0.0137024 0.0328085 7 1 3.6591277 3.1291025 0.8428499 0.0118173 -0.1017950 -0.0440153 ITEM: TIMESTEP 25 ITEM: NUMBER OF ATOMS 7 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 2.9732310 0.9287196 1.8587593 0.0034641 0.1324589 0.0643257 2 1 1.8814825 2.3644068 3.5894945 -0.0227391 -0.1227008 0.0486089 3 1 1.5725153 4.0712847 1.8243596 0.0466807 0.0014647 -0.1343121 4 1 3.0155347 4.6085763 3.8470208 0.0448625 0.0661451 0.0637193 5 1 4.3763925 2.6448559 3.1811819 -0.0159692 -0.0337103 -0.0679679 6 1 3.6963172 5.5216687 1.6247871 -0.0312940 -0.1291809 -0.0019216 7 1 3.6641178 3.1250525 0.8353022 -0.0250051 0.0855234 0.0275476 ITEM: TIMESTEP 26 ITEM: NUMBER OF ATOMS 7 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 2.9694067 0.9384575 1.8569028 -0.0965303 -0.0912552 0.0322924 2 1 1.8800801 2.3625580 3.5985107 0.0798289 0.0002105 0.0233665 3 1 1.5781502 4.0651435 1.8231491 -0.0851302 -0.0849802 -0.0900029 4 1 3.0105014 4.6109674 3.8497894 0.0550651 -0.0729141 0.0846117 5 1 4.3761189 2.6475074 3.1765092 -0.0611181 0.1036946 0.0753260 6 1 3.6971998 5.5162997 1.6271061 0.0757993 0.0011355 -0.0294787 7 1 3.6681340 3.1236310 0.8289383 0.0320852 0.1441089 -0.0961149 ITEM: TIMESTEP 27 ITEM: NUMBER OF ATOMS 7 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 2.9602426 0.9498558 1.8552571 -0.0677666 -0.0184066 0.0233829 2 1 1.8808003 2.3597879 3.6128838 0.1230109 0.1318570 -0.0737670 3 1 1.5836013 4.0529078 1.8181430 0.0304756 -0.1101746 0.1414434 4 1 3.0048895 4.6119776 3.8569453 -0.0390837 -0.1338404 -0.1403718 5 1 4.3735433 2.6551631 3.1721565 -0.1271401 0.1022402 -0.0010853 6 1 3.7012100 5.5082736 1.6295462 0.0359418 0.0303720 0.0710245 7 1 3.6753039 3.1265988 0.8159736 0.0445622 -0.0020476 -0.0206266 ITEM: TIMESTEP 28 ITEM: NUMBER OF ATOMS 7 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 2.9528855 0.9567155 1.8547291 -0.0238606 0.0205032 -0.0291386 2 1 1.8840041 2.3609628 3.6204059 -0.1345961 -0.0985790 0.0213412 3 1 1.5877581 4.0426452 1.8181056 0.0034304 -0.0471307 0.0171266 4 1 3.0004381 4.6096358 3.8583778 0.0131425 0.1761961 -0.0189933 5 1 4.3690639 2.6623273 3.1693560 0.1056278 0.0017442 -0.0978324 6 1 3.7045698 5.5038318 1.6326872 0.0059643 0.0205200 0.0737327 7 1 3.6808715 3.1284462 0.8072439 0.0302918 -0.0732540 0.0337638 ITEM: TIMESTEP 29 ITEM: NUMBER OF ATOMS 7 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 2.9357660 0.9725912 1.8521468 0.0382836 0.1006509 -0.0410168 2 1 1.8843031 2.3586430 3.6377582 -0.1085755 -0.1662496 0.0765841 3 1 1.5969346 4.0180817 1.8188700 0.0942281 0.0516939 -0.1319432 4 1 2.9914412 4.6132581 3.8605444 0.0131468 0.2434497 0.1233794 5 1 4.3645713 2.6779369 3.1584590 0.0838900 -0.0962890 -0.1231604 6 1 3.7121442 5.4952201 1.6431325 -0.0793565 -0.0963374 -0.0113572 7 1 3.6944305 3.1288334 0.7899946 -0.0416166 -0.0369186 0.1075143 ITEM: TIMESTEP 30 ITEM: NUMBER OF ATOMS 7 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 2.9292597 0.9807286 1.8504425 -0.0028688 0.0075373 -0.0472497 2 1 1.8827495 2.3551126 3.6461359 0.0931264 0.0683637 0.0211096 3 1 1.6021952 4.0086962 1.8171483 0.0688383 0.0116345 -0.0034480 4 1 2.9879141 4.6185214 3.8633489 -0.0658313 -0.0307211 0.0601587 5 1 4.3640048 2.6829211 3.1520382 -0.0571204 -0.0161596 0.0161870 6 1 3.7140586 5.4901612 1.6472877 -0.0277919 -0.0179106 -0.0411417 7 1 3.6994092 3.1284235 0.7845041 -0.0083524 -0.0227443 -0.0056160 ITEM: TIMESTEP 31 ITEM: NUMBER OF ATOMS 7 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 2.9250559 0.9861646 1.8472400 -0.0627980 -0.1197259 -0.0608098 2 1 1.8859851 2.3559914 3.6523358 -0.0194097 0.0083568 0.0499727 3 1 1.6086000 4.0033450 1.8159144 -0.1091904 -0.0200349 0.0191940 4 1 2.9827305 4.6204288 3.8678237 -0.0178082 0.0145497 0.0568862 5 1 4.3610687 2.6853118 3.1487491 0.0735172 0.0474233 0.0944466 6 1 3.7140014 5.4861840 1.6480304 0.0623609 0.1008331 -0.0133350 7 1 3.7021493 3.1271391 0.7808122 0.0733282 -0.0314021 -0.1463546 ITEM: TIMESTEP 32 ITEM: NUMBER OF ATOMS 7 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 2.9212105 0.9888084 1.8441602 -0.0432024 -0.0365644 -0.0028937 2 1 1.8881597 2.3567399 3.6575129 -0.0289976 -0.0419695 0.0077765 3 1 1.6120845 3.9991442 1.8152218 -0.0755725 -0.0092777 0.0471380 4 1 2.9786800 4.6220120 3.8718015 0.0129214 0.0323387 -0.0342207 5 1 4.3597434 2.6876345 3.1474045 0.0348596 0.0367744 0.0407037 6 1 3.7146817 5.4844031 1.6484266 0.0307901 0.0400968 0.0340575 7 1 3.7050313 3.1258225 0.7763780 0.0692014 -0.0213982 -0.0925614 ITEM: TIMESTEP 33 ITEM: NUMBER OF ATOMS 7 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 2.9205724 0.9882683 1.8441175 -0.0021253 0.0583375 0.0217383 2 1 1.8877314 2.3561201 3.6576278 0.0235693 -0.0204184 -0.0194492 3 1 1.6109683 3.9990072 1.8159180 0.0290595 -0.0002937 0.0321584 4 1 2.9788708 4.6224896 3.8712961 0.0018670 0.0027683 -0.0496547 5 1 4.3602582 2.6881776 3.1480056 -0.0480999 0.0052938 -0.0236453 6 1 3.7151364 5.4849953 1.6489296 -0.0180895 -0.0472855 0.0213655 7 1 3.7060533 3.1255065 0.7750110 0.0138189 0.0015980 0.0174870 ITEM: TIMESTEP 34 ITEM: NUMBER OF ATOMS 7 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 2.9201192 0.9888976 1.8444557 -0.0011751 0.0316334 -0.0075396 2 1 1.8878482 2.3553706 3.6573753 0.0006050 -0.0094066 0.0110087 3 1 1.6107275 3.9989126 1.8169152 0.0206382 -0.0171065 -0.0127972 4 1 2.9790271 4.6228488 3.8701290 -0.0009300 0.0042887 0.0167197 5 1 4.3597849 2.6886221 3.1480007 -0.0146422 0.0083357 -0.0217308 6 1 3.7151293 5.4845863 1.6496186 0.0021386 -0.0341734 -0.0165011 7 1 3.7069548 3.1253266 0.7744110 -0.0066345 0.0164287 0.0308403 ITEM: TIMESTEP 35 ITEM: NUMBER OF ATOMS 7 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 2.9200451 0.9895081 1.8443685 -0.0159925 -0.0077462 -0.0193318 2 1 1.8878724 2.3551217 3.6575314 -0.0085031 0.0026618 0.0206368 3 1 1.6110479 3.9986118 1.8168179 -0.0111307 -0.0224694 -0.0010027 4 1 2.9790301 4.6229643 3.8702723 -0.0071185 -0.0016103 0.0198837 5 1 4.3594805 2.6888164 3.1476324 0.0119683 0.0195001 0.0083450 6 1 3.7151646 5.4839592 1.6494218 0.0200052 0.0054655 -0.0121298 7 1 3.7069504 3.1255831 0.7748611 0.0107713 0.0041985 -0.0164012 ITEM: TIMESTEP 36 ITEM: NUMBER OF ATOMS 7 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 2.9195765 0.9899030 1.8438045 -0.0099646 0.0156591 0.0000603 2 1 1.8876845 2.3549485 3.6581942 0.0149253 0.0087706 0.0036508 3 1 1.6110796 3.9977643 1.8166994 0.0116237 -0.0084756 0.0222989 4 1 2.9788561 4.6230354 3.8709042 -0.0155249 -0.0092106 -0.0194650 5 1 4.3594851 2.6894876 3.1474854 -0.0132626 0.0053468 0.0047006 6 1 3.7156956 5.4834916 1.6489311 -0.0011865 -0.0011814 0.0131615 7 1 3.7072137 3.1259341 0.7748866 0.0133896 -0.0109089 -0.0244071 ITEM: TIMESTEP 37 ITEM: NUMBER OF ATOMS 7 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 2.9184692 0.9911446 1.8429836 -0.0022173 0.0306340 0.0104135 2 1 1.8880441 2.3550682 3.6593168 -0.0099521 -0.0402349 0.0164651 3 1 1.6116196 3.9961671 1.8174736 0.0140663 0.0079300 -0.0181497 4 1 2.9779427 4.6227480 3.8709997 0.0029753 0.0454500 0.0013981 5 1 4.3589284 2.6906946 3.1474705 0.0042497 -0.0185149 -0.0169651 6 1 3.7164203 5.4827590 1.6487739 -0.0170539 -0.0145771 0.0213155 7 1 3.7081668 3.1259832 0.7738872 0.0079320 -0.0106871 -0.0144774 ITEM: TIMESTEP 38 ITEM: NUMBER OF ATOMS 7 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 2.9122791 1.0008718 1.8395884 -0.0312040 -0.0743285 -0.0194005 2 1 1.8889978 2.3517305 3.6670002 -0.0110454 0.0155119 0.0496612 3 1 1.6159239 3.9883397 1.8198516 -0.0240298 -0.0306656 -0.0822079 4 1 2.9733118 4.6256976 3.8716533 0.0128734 0.0074174 0.0803021 5 1 4.3563471 2.6953701 3.1457108 0.0310030 0.0208354 0.0021644 6 1 3.7186397 5.4773653 1.6500364 0.0185225 0.0291904 -0.0085305 7 1 3.7140914 3.1251896 0.7670647 0.0038803 0.0320390 -0.0219888 ITEM: TIMESTEP 39 ITEM: NUMBER OF ATOMS 7 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 2.9095434 1.0039696 1.8380656 -0.0197854 -0.0445012 -0.0012235 2 1 1.8892650 2.3505702 3.6705024 0.0250816 0.0499194 0.0239623 3 1 1.6173810 3.9849659 1.8199854 0.0121859 -0.0335345 -0.0625656 4 1 2.9716179 4.6269286 3.8726920 0.0010937 -0.0288309 0.0495245 5 1 4.3556349 2.6974098 3.1450405 -0.0132485 0.0141296 -0.0207747 6 1 3.7196920 5.4755305 1.6504494 0.0022592 0.0135123 0.0018636 7 1 3.7164568 3.1251899 0.7641703 -0.0075864 0.0293055 0.0092134 ITEM: TIMESTEP 40 ITEM: NUMBER OF ATOMS 7 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 2.9089356 1.0028533 1.8379913 0.0013872 0.0254149 0.0247614 2 1 1.8899487 2.3518852 3.6712436 0.0010345 0.0027539 -0.0001111 3 1 1.6177492 3.9839700 1.8183015 0.0319717 -0.0050175 -0.0118617 4 1 2.9716015 4.6261844 3.8740559 -0.0059630 0.0163845 -0.0126171 5 1 4.3552583 2.6978462 3.1444620 -0.0050393 -0.0221428 -0.0453093 6 1 3.7197815 5.4758452 1.6505108 -0.0247972 -0.0010740 0.0380844 7 1 3.7163163 3.1259803 0.7643403 0.0014061 -0.0163189 0.0070534 ITEM: TIMESTEP 41 ITEM: NUMBER OF ATOMS 7 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 2.9086852 1.0029601 1.8385703 -0.0210684 -0.0238797 0.0013713 2 1 1.8902948 2.3525696 3.6715882 -0.0253027 -0.0017544 0.0133364 3 1 1.6187142 3.9833790 1.8172184 -0.0147010 -0.0100905 0.0055626 4 1 2.9714460 4.6262417 3.8743823 -0.0055907 0.0163411 -0.0035032 5 1 4.3549569 2.6975018 3.1430679 0.0395245 0.0044185 0.0038117 6 1 3.7192088 5.4759661 1.6514836 0.0034145 0.0304060 0.0264978 7 1 3.7162853 3.1259462 0.7645949 0.0237239 -0.0154410 -0.0470766 ITEM: TIMESTEP 42 ITEM: NUMBER OF ATOMS 7 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 2.9084267 1.0026672 1.8385871 -0.0047567 0.0194262 0.0172724 2 1 1.8899843 2.3525481 3.6717518 0.0085724 0.0057340 -0.0046617 3 1 1.6185338 3.9832552 1.8172866 0.0193947 -0.0068806 0.0030270 4 1 2.9713774 4.6264422 3.8743393 -0.0056594 -0.0021324 -0.0138591 5 1 4.3554418 2.6975560 3.1431146 -0.0105961 -0.0053508 -0.0193872 6 1 3.7192507 5.4763391 1.6518087 -0.0126446 -0.0036049 0.0215713 7 1 3.7165764 3.1257568 0.7640173 0.0056897 -0.0071916 -0.0039628 ITEM: TIMESTEP 43 ITEM: NUMBER OF ATOMS 7 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 2.9081331 1.0029201 1.8390065 -0.0075727 0.0044556 0.0030517 2 1 1.8899689 2.3526683 3.6717565 0.0031039 0.0018563 0.0091457 3 1 1.6188650 3.9830060 1.8174059 0.0069600 -0.0125171 -0.0201842 4 1 2.9711957 4.6265325 3.8739822 0.0022486 -0.0018623 0.0164658 5 1 4.3555318 2.6974678 3.1426900 -0.0048161 0.0052655 -0.0118132 6 1 3.7189817 5.4765157 1.6525457 -0.0004568 -0.0058235 -0.0001539 7 1 3.7169148 3.1254542 0.7635187 0.0005332 0.0086255 0.0034881 ITEM: TIMESTEP 44 ITEM: NUMBER OF ATOMS 7 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 2.9074731 1.0033798 1.8395401 -0.0145036 -0.0182129 -0.0153175 2 1 1.8901188 2.3528730 3.6722428 -0.0078682 0.0125539 0.0153924 3 1 1.6195262 3.9821247 1.8164481 -0.0058269 -0.0121769 0.0069344 4 1 2.9711528 4.6265146 3.8745326 -0.0076118 -0.0098710 0.0024822 5 1 4.3553580 2.6976669 3.1416898 0.0150606 0.0180097 0.0125926 6 1 3.7187185 5.4763657 1.6531928 0.0094542 0.0089128 -0.0003152 7 1 3.7172437 3.1256399 0.7632594 0.0112958 0.0007844 -0.0217689 ITEM: TIMESTEP 45 ITEM: NUMBER OF ATOMS 7 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 2.9066993 1.0034155 1.8396851 -0.0010889 0.0172789 -0.0053458 2 1 1.8900961 2.3532562 3.6728966 0.0023932 0.0034781 0.0028352 3 1 1.6199396 3.9812193 1.8158224 0.0059658 -0.0049800 0.0202382 4 1 2.9709839 4.6263252 3.8750070 -0.0106007 -0.0051536 -0.0137321 5 1 4.3554898 2.6981426 3.1411316 -0.0057018 0.0034690 0.0001486 6 1 3.7186807 5.4764068 1.6536930 0.0017177 -0.0029186 0.0031051 7 1 3.7177016 3.1257990 0.7626697 0.0073148 -0.0111737 -0.0072492 ITEM: TIMESTEP 46 ITEM: NUMBER OF ATOMS 7 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 2.9062138 1.0039304 1.8396174 -0.0014215 0.0166211 -0.0047250 2 1 1.8901512 2.3535806 3.6733615 -0.0082613 -0.0239255 0.0110500 3 1 1.6203529 3.9805453 1.8160336 -0.0009698 -0.0014195 -0.0064736 4 1 2.9705818 4.6260667 3.8748930 0.0019215 0.0218685 0.0100489 5 1 4.3554042 2.6985211 3.1408081 0.0028839 -0.0023122 -0.0023569 6 1 3.7187077 5.4763475 1.6540755 0.0022011 -0.0111767 -0.0053946 7 1 3.7181795 3.1255730 0.7621163 0.0036461 0.0003443 -0.0021489