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 2.8750770 1.7392710 0.5500127 -2.1763389 0.5487256 2.0284793 2 1 2.2471420 4.0956620 1.8904240 3.5739758 -1.6694770 -0.5331821 3 1 4.3708490 2.9382460 1.6934270 2.2369945 2.6327213 1.2805420 4 1 3.9028520 1.0496830 3.0363410 -0.4551980 -0.5278324 -1.3697339 5 1 5.9234960 0.6620550 4.4575240 -0.4135232 -0.2807679 -0.3509038 6 1 5.0310610 2.8172290 4.2098380 -0.0701369 1.5066268 -0.1844705 7 1 4.6801070 5.0557580 2.9763260 -2.6957732 -2.2099963 -0.8707309 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 2.8141829 1.7546244 0.6067696 -0.3425131 0.3661191 1.8565643 2 1 2.3471420 4.0489500 1.8755055 0.5297654 -0.0240605 -0.2025056 3 1 4.4334402 3.0119097 1.7292566 1.8045048 -0.3927164 -0.7612227 4 1 3.8901155 1.0349142 2.9980158 -0.1040075 -0.4097665 -0.6420519 5 1 5.9119256 0.6541991 4.4477057 -0.5775715 0.0497078 -0.4422964 6 1 5.0290986 2.8593845 4.2046765 -0.0583713 0.5923009 -0.1393446 7 1 4.6046791 4.9939222 2.9519629 -1.2518069 -0.1815844 0.3308569 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 2.7957342 1.7743446 0.7067696 -0.6157992 0.0771987 1.0338276 2 1 2.3756767 4.0476540 1.8645980 0.4201859 -0.0140773 -0.1316958 3 1 4.5306361 2.9907568 1.6882549 1.6658689 0.0850183 -0.4258096 4 1 3.8845134 1.0128430 2.9634330 0.1356026 -0.3317064 -0.0247967 5 1 5.8808159 0.6568765 4.4238823 -0.5301148 0.1611187 -0.4362485 6 1 5.0259545 2.8912875 4.1971710 -0.1838731 0.1518464 -0.2459183 7 1 4.5372532 4.9841415 2.9697838 -0.8918703 -0.1293983 0.2306413 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 2.7587685 1.7789788 0.7688290 -0.1251620 0.3556977 1.2108758 2 1 2.4008999 4.0468089 1.8566925 0.5588988 -0.1811292 -0.1720095 3 1 4.6306361 2.9958603 1.6626941 0.8212027 -0.2531073 -0.3181767 4 1 3.8926534 0.9929311 2.9619445 -0.0100465 -0.0049585 -0.3570966 5 1 5.8489938 0.6665483 4.3976949 -0.2669355 0.0499045 -0.2798693 6 1 5.0149168 2.9004027 4.1824088 -0.2005813 0.1196273 -0.2011984 7 1 4.4837153 4.9763739 2.9836289 -0.7773761 -0.0860346 0.1174747 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 2.7484320 1.8083540 0.8688290 -0.2553600 0.0428661 0.6259640 2 1 2.4470565 4.0318504 1.8424871 0.2341540 0.1120659 -0.1091306 3 1 4.6984550 2.9749575 1.6364175 0.7868674 0.0427587 -0.0280495 4 1 3.8918238 0.9925216 2.9324537 0.0617870 -0.0863307 -0.0836213 5 1 5.8269490 0.6706696 4.3745819 -0.1933282 0.0634046 -0.2378103 6 1 4.9983519 2.9102821 4.1657929 -0.1285640 0.0248962 -0.1503413 7 1 4.4195158 4.9692688 2.9933306 -0.5055561 -0.1996608 -0.0170111 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 2.7159793 1.8138017 0.9483804 0.2599483 0.2120849 0.3993505 2 1 2.4768143 4.0460925 1.8286181 -0.0551670 -0.0036514 -0.2923014 3 1 4.7984550 2.9803916 1.6328528 -0.1928953 -0.3016321 -0.0898587 4 1 3.8996760 0.9815501 2.9218266 -0.0358560 0.0059163 -0.1648518 5 1 5.8023796 0.6787275 4.3443595 0.0659969 -0.0466388 -0.0634225 6 1 4.9820132 2.9134461 4.1466866 -0.0020203 0.0382632 0.0744492 7 1 4.3552666 4.9438946 2.9911687 -0.0400066 0.0956580 0.1366347 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 2.7276390 1.8286960 0.9881067 -0.0476779 -0.0268950 -0.0240793 2 1 2.4781951 4.0482526 1.8070180 -0.0403901 0.2192865 -0.1744677 3 1 4.8026004 2.9614305 1.6263304 -0.0329691 0.0407347 0.0805346 4 1 3.8986368 0.9800906 2.9091717 0.1043742 -0.1356049 0.1621137 5 1 5.8025871 0.6770123 4.3350855 0.0273646 0.0030002 -0.0849141 6 1 4.9791258 2.9165009 4.1483720 0.0087084 -0.0252799 0.0332975 7 1 4.3417999 4.9459211 2.9998083 -0.0194101 -0.0752416 0.0075153 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 2.7297386 1.8400036 1.0303524 -0.1410304 -0.0201743 0.0497179 2 1 2.4696321 4.1064961 1.7364801 0.1611842 0.0556478 -0.1300024 3 1 4.7992844 2.9486832 1.6388165 0.0065825 0.0996627 0.1285706 4 1 3.9238428 0.9439226 2.9348835 -0.3252112 -0.0010399 -0.2413358 5 1 5.8097797 0.6756857 4.3022623 0.3754140 -0.0575775 0.1638375 6 1 4.9778201 2.9138077 4.1588680 0.0527756 -0.0130815 0.1095118 7 1 4.3204863 4.9293051 3.0122298 -0.1297146 -0.0634373 -0.0802997 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 2.7175927 1.8517536 1.0873062 -0.2332313 0.2183370 0.0339494 2 1 2.4759616 4.1836714 1.6364801 0.2437897 -0.2119692 -0.1387088 3 1 4.7959081 2.9434648 1.6675343 0.0166037 -0.0295764 0.0777588 4 1 3.9207880 0.8994964 2.9412020 -0.0509245 0.0536120 -0.0495930 5 1 5.8577729 0.6680510 4.2791418 0.1130539 0.1317271 0.0174843 6 1 4.9817281 2.9091424 4.1831583 0.0790444 -0.2041648 0.0666615 7 1 4.2808324 4.9023245 3.0190699 -0.1683360 0.0420342 -0.0075524 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 2.6833321 1.8839909 1.1162111 -0.1137756 -0.1666846 -0.0063611 2 1 2.5090141 4.1907667 1.5758944 -0.0150446 0.1504260 -0.1428228 3 1 4.7965091 2.9375259 1.6896482 0.0395673 -0.1248891 0.0544617 4 1 3.9131329 0.8869071 2.9377749 0.1297331 0.0884587 0.0376030 5 1 5.8926289 0.6811191 4.2712950 -0.0091230 -0.0379240 -0.0940428 6 1 4.9932491 2.8817376 4.2019736 -0.0922144 0.1887247 -0.0872120 7 1 4.2427178 4.8958568 3.0210955 0.0608571 -0.0981116 0.2383740 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 2.6268822 1.8977305 1.1491139 0.0997646 -0.1842486 0.0442048 2 1 2.5455202 4.2207060 1.4844668 0.1813743 0.1486048 0.0316260 3 1 4.8029038 2.9126130 1.7233547 -0.2201957 -0.0219811 -0.1356170 4 1 3.9228382 0.8849024 2.9391742 0.1030657 0.0701779 0.0570196 5 1 5.9320970 0.6909531 4.2485868 -0.0642172 -0.0429153 -0.1079240 6 1 4.9934635 2.8768222 4.2114418 -0.0657324 0.0865469 0.0751823 7 1 4.2068790 4.8741768 3.0577545 -0.0340592 -0.0561847 0.0355084 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 2.6141124 1.8836022 1.1675858 -0.0042735 0.0254739 -0.0006522 2 1 2.5802735 4.2491923 1.4497816 0.1512621 -0.1869994 -0.0451400 3 1 4.7818419 2.8998646 1.7227856 -0.1586570 0.1531931 -0.0966521 4 1 3.9379872 0.8916289 2.9459012 -0.0527126 -0.0523066 0.0559459 5 1 5.9416217 0.6904262 4.2274966 0.0252567 0.0337192 -0.0238955 6 1 4.9864702 2.8840997 4.2234876 -0.0048702 -0.0989310 0.0587757 7 1 4.1882770 4.8590901 3.0768543 0.0439943 0.1258508 0.0516181 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 2.6067530 1.8783056 1.1775874 -0.0947876 -0.1162851 -0.0263469 2 1 2.6134585 4.2470916 1.4266328 0.0387873 -0.0648970 -0.0936453 3 1 4.7554189 2.9073538 1.7133688 -0.0016337 0.1515051 0.0947008 4 1 3.9412734 0.8903649 2.9548372 -0.1153935 -0.0247918 -0.0142797 5 1 5.9491903 0.6933163 4.2137557 0.0983527 0.0118416 0.0113636 6 1 4.9822015 2.8787428 4.2355879 -0.0338915 -0.0262529 -0.0746196 7 1 4.1822884 4.8627290 3.0921230 0.1085662 0.0688801 0.1028272 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 2.5944636 1.8648192 1.1793053 0.0006105 -0.0642113 0.0009797 2 1 2.6313457 4.2399295 1.4077250 0.0397161 0.0428813 -0.0310340 3 1 4.7440011 2.9251755 1.7185007 -0.0427416 -0.0310522 0.0901685 4 1 3.9315307 0.8874322 2.9572663 0.0206343 0.0399415 0.0218266 5 1 5.9619132 0.6956914 4.2089974 0.0015438 0.0241195 -0.0530515 6 1 4.9771096 2.8739249 4.2335386 -0.0189356 -0.0576727 -0.0370459 7 1 4.1902201 4.8709312 3.1085594 -0.0008274 0.0459940 0.0081566 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 2.5932803 1.8579990 1.1795613 0.0054775 0.0173942 0.0002521 2 1 2.6365236 4.2428590 1.4031834 0.0362215 -0.0068696 -0.0392941 3 1 4.7392160 2.9243241 1.7266903 -0.0435460 -0.0053437 0.0229398 4 1 3.9323075 0.8905366 2.9593680 -0.0256549 -0.0251187 0.0206227 5 1 5.9633234 0.6979828 4.2040042 0.0584953 -0.0316111 -0.0343000 6 1 4.9749863 2.8685324 4.2301799 -0.0273496 0.0355241 0.0228707 7 1 4.1909470 4.8756700 3.1109056 -0.0036437 0.0160248 0.0069088 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 2.5933354 1.8560483 1.1797794 -0.0290420 -0.0010689 -0.0066888 2 1 2.6459135 4.2437932 1.3937435 0.0008649 0.0327119 -0.0414883 3 1 4.7289267 2.9228781 1.7360454 0.0345741 0.0017073 0.0027336 4 1 3.9287416 0.8886721 2.9641267 0.0109301 -0.0255462 0.0575337 5 1 5.9736621 0.6945151 4.1950500 -0.0119024 0.0514331 -0.0512985 6 1 4.9691363 2.8704737 4.2315081 0.0116825 -0.0619114 0.0461051 7 1 4.1908684 4.8815233 3.1136396 -0.0171072 0.0026742 -0.0068968 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 2.5893578 1.8536034 1.1791050 0.0253207 0.0145933 0.0562657 2 1 2.6570867 4.2494462 1.3768568 0.0016492 0.0114314 -0.0263251 3 1 4.7216277 2.9214137 1.7474378 0.0255130 -0.0207092 0.0168493 4 1 3.9260656 0.8829215 2.9777366 -0.0606372 0.0298396 -0.0385403 5 1 5.9841752 0.6975926 4.1773694 0.0310415 0.0295174 -0.0227661 6 1 4.9638763 2.8641411 4.2394892 -0.0127420 0.0221858 0.0150035 7 1 4.1883947 4.8887855 3.1158978 -0.0101452 -0.0868583 -0.0004869 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 2.5883657 1.8528696 1.1855727 -0.0086639 0.0488676 0.0193506 2 1 2.6691656 4.2569104 1.3555585 0.0323132 -0.0482435 0.0129943 3 1 4.7171322 2.9172140 1.7616902 0.0318307 -0.0286915 -0.0245328 4 1 3.9154809 0.8806231 2.9872723 0.0010391 0.0346467 0.0079855 5 1 5.9993055 0.7046303 4.1556822 -0.0147785 0.0324617 -0.0332781 6 1 4.9566622 2.8602472 4.2498824 -0.0182928 0.0110982 0.0085779 7 1 4.1844718 4.8854094 3.1182344 -0.0234478 -0.0501391 0.0089026 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 2.5864722 1.8608901 1.1915879 -0.0395269 -0.0675234 -0.0080706 2 1 2.6797474 4.2518238 1.3488255 -0.0091183 0.0525970 -0.0009217 3 1 4.7206686 2.9105596 1.7634965 0.0772930 -0.0071377 -0.0211263 4 1 3.9112113 0.8855625 2.9926393 -0.0281775 0.0006798 0.0051513 5 1 6.0031432 0.7131195 4.1408995 0.0168029 0.0068409 -0.0102727 6 1 4.9505138 2.8605028 4.2557107 -0.0099314 -0.0021221 0.0185535 7 1 4.1788274 4.8754457 3.1207333 -0.0073419 0.0166654 0.0166866 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 2.5813108 1.8601291 1.1951163 0.0199877 -0.0096541 0.0024144 2 1 2.6864437 4.2532475 1.3439174 0.0137631 -0.0080316 0.0022818 3 1 4.7306427 2.9051092 1.7627552 -0.0297684 0.0195131 -0.0049009 4 1 3.9054419 0.8891636 2.9969770 -0.0154188 -0.0024225 0.0088627 5 1 6.0075081 0.7198547 4.1293290 0.0140707 -0.0058665 -0.0023649 6 1 4.9451565 2.8604815 4.2616690 -0.0119264 -0.0146387 -0.0042925 7 1 4.1740803 4.8699184 3.1241288 0.0092920 0.0211003 -0.0020006 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 2.5816548 1.8588708 1.1965515 0.0133509 0.0008204 -0.0073911 2 1 2.6901211 4.2528910 1.3425070 -0.0059224 -0.0042814 -0.0064980 3 1 4.7308980 2.9053069 1.7619972 -0.0219563 0.0097845 0.0176584 4 1 3.9019037 0.8901206 2.9993536 0.0118815 -0.0010244 0.0213877 5 1 6.0104349 0.7215059 4.1251997 -0.0015894 -0.0061597 -0.0084086 6 1 4.9421194 2.8589536 4.2632230 -0.0140737 -0.0068388 -0.0186778 7 1 4.1734522 4.8702552 3.1250606 0.0183094 0.0076995 0.0019294 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 2.5828248 1.8589427 1.1959038 0.0083535 -0.0149884 -0.0028155 2 1 2.6896021 4.2525159 1.3419376 -0.0023164 0.0114238 0.0016920 3 1 4.7289740 2.9061643 1.7635446 -0.0052918 0.0024281 0.0002893 4 1 3.9029449 0.8900308 3.0012278 -0.0153548 -0.0027710 0.0000022 5 1 6.0102956 0.7209661 4.1244628 0.0162650 -0.0081538 -0.0003626 6 1 4.9408861 2.8583543 4.2615863 -0.0054235 -0.0036817 0.0075078 7 1 4.1750566 4.8709299 3.1252297 0.0037679 0.0157430 -0.0063132 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 2.5845053 1.8571907 1.1951900 -0.0016142 0.0031456 -0.0071637 2 1 2.6890229 4.2536647 1.3418088 0.0007496 -0.0041188 0.0041661 3 1 4.7272210 2.9069538 1.7644797 0.0018224 0.0007155 0.0010870 4 1 3.9017131 0.8896470 3.0023187 0.0030841 -0.0002869 0.0099201 5 1 6.0121612 0.7196762 4.1239907 -0.0034115 0.0055575 -0.0072081 6 1 4.9395193 2.8575649 4.2615324 -0.0019724 -0.0067008 0.0044838 7 1 4.1764412 4.8732066 3.1245725 0.0013419 0.0016879 -0.0052852 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 2.5847557 1.8570405 1.1944886 0.0032209 0.0014811 -0.0002292 2 1 2.6889512 4.2536074 1.3420960 -0.0022695 -0.0028136 0.0010748 3 1 4.7269703 2.9071832 1.7647695 0.0022623 -0.0039811 0.0024838 4 1 3.9016736 0.8895401 3.0033126 -0.0056130 0.0032319 -0.0011408 5 1 6.0123164 0.7198113 4.1233396 0.0031460 0.0014464 -0.0046626 6 1 4.9390666 2.8568819 4.2618603 -0.0045958 0.0057765 0.0019134 7 1 4.1768501 4.8738396 3.1240262 0.0038491 -0.0051411 0.0005608