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 0.5116978 0.3233127 0.9505368 -9.6563348 -11.6983002 -1.3237991 2 1 2.5367340 0.7827887 1.0107120 9.6224547 -17.9195657 -0.4721035 3 1 1.7954600 2.7569280 0.1598621 -1.9313460 19.7952906 -15.7083019 4 1 1.9848730 2.2945450 2.2526310 1.9652261 9.8225753 17.5042045 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 0.4629168 0.2642163 0.9438494 -3.4278490 -2.1684340 -0.6730356 2 1 2.5853438 0.6922643 1.0083271 5.6851991 -8.8240502 0.0016647 3 1 1.7857034 2.8569280 0.0805084 -2.1592302 7.0762029 -5.0772109 4 1 1.9948007 2.3441658 2.3410571 -0.0981199 3.9162813 5.7485817 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 0.4289507 0.2427296 0.9371803 -2.0817815 -1.0554500 -0.5056060 2 1 2.6416778 0.6048278 1.0083436 1.3380557 0.6611115 -1.7676378 3 1 1.7643078 2.9270453 0.0301989 0.7924773 -1.8624728 1.4848709 4 1 1.9938285 2.3829717 2.3980191 -0.0487515 2.2568113 0.7883729 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 0.3372840 0.1949085 0.9154159 0.1501801 -0.2394074 -0.0845113 2 1 2.7114870 0.6029336 0.9396185 -0.7763223 1.0085000 -0.2715286 3 1 1.7883677 2.8767605 0.0720539 0.4876760 -0.9145694 0.7989805 4 1 1.9916260 2.4829717 2.4466535 0.1384662 0.1454768 -0.4429406 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 0.3388915 0.1911160 0.9140462 -0.1367866 -0.3503415 -0.0858740 2 1 2.7006153 0.6176199 0.9352253 0.0889033 -0.5143463 -0.3288249 3 1 1.7956279 2.8631124 0.0839640 0.0617258 0.2272831 -0.1004576 4 1 1.9936301 2.4857261 2.4405064 -0.0138424 0.6374047 0.5151565 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 0.3348361 0.1642794 0.9065528 -0.1688258 -0.3681708 -0.0321988 2 1 2.6828137 0.6203433 0.9083031 0.1583346 -0.5901668 0.1069538 3 1 1.8140657 2.8470212 0.1033002 -0.0801025 0.7432142 -0.4267363 4 1 1.9970494 2.5259305 2.4555857 0.0905936 0.2151235 0.3519814 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 0.3323536 0.1572014 0.9054577 -0.0200270 -0.3039286 -0.0275683 2 1 2.6831432 0.6132288 0.9071477 -0.2909615 0.2553366 0.2633294 3 1 1.8147715 2.8548094 0.0997624 0.1072929 0.2212652 -0.0205517 4 1 1.9984965 2.5323348 2.4613741 0.2036956 -0.1726733 -0.2152094 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 0.3168634 0.0675854 0.8951749 0.0148054 -0.2852748 -0.0894733 2 1 2.6311341 0.6264196 0.9501419 -0.4144732 0.4653854 -0.3215695 3 1 1.8378834 2.9325805 0.0791580 0.3090235 -0.5408249 0.4846367 4 1 2.0428839 2.5309888 2.4492671 0.0906443 0.3607143 -0.0735938 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 0.3087803 0.0054953 0.8857060 -0.1274320 -0.3721824 -0.1047618 2 1 2.5848148 0.6530531 0.9609883 0.1533719 -1.0379152 -0.4645939 3 1 1.8636251 2.9538883 0.0876172 -0.0204328 0.4725474 -0.3515233 4 1 2.0715446 2.5451377 2.4394304 -0.0055072 0.9375501 0.9208789 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 0.2941281 -0.0945047 0.8694628 -0.0323013 -0.3133012 -0.0870334 2 1 2.5191311 0.6711748 0.9675014 0.0152071 -1.0319772 -0.4286981 3 1 1.9014690 2.9953389 0.0929206 -0.0177564 0.4796123 -0.4018416 4 1 2.1140367 2.5855654 2.4438572 0.0348506 0.8656661 0.9175731 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 0.2937257 -0.0984075 0.8683786 0.0103149 -0.2623666 -0.0748939 2 1 2.5193205 0.6583193 0.9621610 -0.2996743 0.2102779 -0.3001585 3 1 1.9012478 3.0013135 0.0879148 0.1999277 -0.3335071 0.2676266 4 1 2.1144708 2.5963492 2.4552875 0.0894317 0.3855958 0.1074257 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 0.2941849 -0.1260095 0.8605331 -0.0964005 -0.3027033 -0.0297259 2 1 2.4930273 0.6624409 0.9295974 -0.1668520 0.3024226 0.1904660 3 1 1.9186825 2.9785430 0.1059492 0.1239771 0.1300516 0.0230669 4 1 2.1228701 2.6426001 2.4776622 0.1392754 -0.1297708 -0.1838070 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 0.2903691 -0.1379914 0.8593565 -0.0510553 -0.2991740 -0.0375759 2 1 2.4864228 0.6744116 0.9371366 -0.0430229 -0.5783208 -0.0381251 3 1 1.9235899 2.9836908 0.1068622 0.0094355 0.5537268 -0.3442530 4 1 2.1283830 2.6374634 2.4703866 0.0846427 0.3237680 0.4199539 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 0.2734957 -0.1969871 0.8532081 0.2430708 -0.1494297 -0.0471695 2 1 2.4591814 0.6953702 0.9644561 -0.3042308 -0.9419104 -0.3272084 3 1 1.9428557 3.0274476 0.0954650 0.0054219 0.4232579 -0.2998594 4 1 2.1532320 2.6317437 2.4606126 0.0557381 0.6680822 0.6742372 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 0.2726605 -0.2132826 0.8510869 0.2431633 -0.1221841 -0.0464613 2 1 2.4485084 0.6878415 0.9666964 -0.4976179 0.1547063 -0.2595665 3 1 1.9475966 3.0437157 0.0886898 0.1719124 -0.3376817 0.3201116 4 1 2.1599993 2.6392999 2.4672688 0.0825422 0.3051595 -0.0140837 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 0.2971191 -0.2618528 0.8414632 -0.3480614 -0.4112188 -0.0530792 2 1 2.3715801 0.6882148 0.9435154 0.0764843 0.6838285 0.1657723 3 1 1.9764601 3.0425425 0.1085689 0.1449834 -0.1012064 0.1076215 4 1 2.1836056 2.6886699 2.4801944 0.1265937 -0.1714033 -0.2203146 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 0.2945934 -0.2894280 0.8368391 -0.2917828 -0.4194755 -0.0459055 2 1 2.3494209 0.7085495 0.9410575 0.1485665 -0.4998440 0.0362192 3 1 1.9899088 3.0391781 0.1180610 0.0232694 0.6618540 -0.5014012 4 1 2.1948417 2.6992748 2.4777843 0.1199470 0.2574655 0.5110875 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 0.2744127 -0.3894280 0.8211329 0.0985785 -0.1777540 0.0020938 2 1 2.2901884 0.7470919 0.9353462 -0.2130277 -0.9180658 0.0531706 3 1 2.0307924 3.0579951 0.1243907 0.0190956 0.8576697 -0.6064384 4 1 2.2333714 2.7419153 2.4928721 0.0953536 0.2381500 0.5511740 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 0.2729070 -0.4060311 0.8189370 0.0772629 -0.1561984 0.0047294 2 1 2.2788755 0.7399534 0.9352669 -0.2448830 0.3196863 0.3290167 3 1 2.0368452 3.0724293 0.1169657 0.1064832 0.1813759 0.0184203 4 1 2.2401371 2.7512228 2.5025723 0.0611369 -0.3448638 -0.3521665 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 0.2756968 -0.4533803 0.8146417 0.0243752 -0.1120760 0.0036255 2 1 2.2358859 0.7495679 0.9605904 -0.1562064 0.6936688 0.0765400 3 1 2.0579450 3.1171247 0.1026302 0.1201639 -0.3593590 0.3962503 4 1 2.2592372 2.7442621 2.4958796 0.0116673 -0.2222337 -0.4764158 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 0.2766329 -0.4646154 0.8138353 0.0511494 -0.0781143 0.0117175 2 1 2.2248453 0.7621986 0.9668552 -0.1409262 -0.2598475 -0.1226338 3 1 2.0640348 3.1205547 0.1058646 0.0560599 0.1457640 -0.0689461 4 1 2.2632518 2.7394365 2.4871868 0.0337169 0.1921979 0.1798624 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 0.2802325 -0.4844450 0.8131677 -0.0178102 -0.0766679 0.0170254 2 1 2.2025599 0.7693244 0.9706624 -0.0361806 -0.4275429 -0.2004749 3 1 2.0753816 3.1319272 0.1075843 0.0287012 0.2135469 -0.1870357 4 1 2.2705908 2.7407678 2.4823275 0.0252895 0.2906639 0.3704852 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 0.2811241 -0.4916445 0.8131820 -0.0648680 -0.0920491 0.0145140 2 1 2.1951231 0.7659536 0.9692273 0.0162097 0.1360366 -0.1339898 3 1 2.0793026 3.1382763 0.1056731 0.0500482 -0.1279486 0.0864045 4 1 2.2732150 2.7449890 2.4856595 -0.0013899 0.0839611 0.0330713 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 0.2764968 -0.5107340 0.8145337 0.0122268 -0.0185799 0.0181488 2 1 2.1856064 0.7734367 0.9548217 -0.0315447 0.0955935 0.0002922 3 1 2.0896916 3.1359408 0.1107659 0.0309869 -0.0315136 0.0506907 4 1 2.2769699 2.7589309 2.4936207 -0.0116690 -0.0455000 -0.0691317 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 0.2766578 -0.5109787 0.8147727 0.0148054 -0.0156711 0.0184998 2 1 2.1851910 0.7746957 0.9548255 -0.0331016 -0.0265568 -0.0204442 3 1 2.0900997 3.1355258 0.1114334 0.0247769 0.0384220 -0.0117425 4 1 2.2768163 2.7583317 2.4927103 -0.0064807 0.0038059 0.0136868 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 0.2796953 -0.5145204 0.8187344 -0.0416950 -0.0406581 0.0127504 2 1 2.1781561 0.7760553 0.9516261 0.0334381 -0.0416549 -0.0311715 3 1 2.0957927 3.1397448 0.1125226 0.0130975 0.0556841 -0.0530867 4 1 2.2751207 2.7562946 2.4908588 -0.0048406 0.0266290 0.0715077 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 0.2798406 -0.5162600 0.8201047 -0.0486232 -0.0423597 0.0111007 2 1 2.1767093 0.7757160 0.9501524 0.0430710 0.0726218 -0.0126947 3 1 2.0976698 3.1419447 0.1119038 0.0154476 -0.0134835 0.0055298 4 1 2.2745451 2.7561738 2.4915810 -0.0098955 -0.0167786 -0.0039358 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 0.2773324 -0.5219786 0.8233347 0.0071089 0.0006930 0.0115471 2 1 2.1764352 0.7792303 0.9466353 -0.0089615 -0.0036732 -0.0163756 3 1 2.1021084 3.1453382 0.1110489 0.0108834 0.0018317 0.0144607 4 1 2.2728889 2.7549845 2.4927231 -0.0090308 0.0011484 -0.0096322 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 0.2776679 -0.5236662 0.8261749 0.0006707 -0.0001568 0.0083767 2 1 2.1749325 0.7797541 0.9429415 0.0004211 -0.0402203 -0.0099474 3 1 2.1052236 3.1466942 0.1130660 0.0032938 0.0356866 -0.0370422 4 1 2.2709409 2.7547923 2.4915595 -0.0043857 0.0046906 0.0386129 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 0.2778473 -0.5245260 0.8277304 -0.0051613 -0.0026561 0.0064565 2 1 2.1741745 0.7794828 0.9409313 0.0078020 0.0066355 0.0036121 3 1 2.1068508 3.1478603 0.1135961 0.0021849 0.0140004 -0.0276103 4 1 2.2698922 2.7547573 2.4914841 -0.0048256 -0.0179798 0.0175417 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 0.2776372 -0.5246341 0.8279932 0.0006063 0.0008594 0.0066075 2 1 2.1744920 0.7797529 0.9410783 0.0014965 0.0289562 0.0035282 3 1 2.1069397 3.1484301 0.1124722 0.0045660 -0.0081547 0.0042864 4 1 2.2696958 2.7540255 2.4921982 -0.0066688 -0.0216610 -0.0144221 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 0.2775609 -0.5246622 0.8282390 0.0058425 0.0045048 0.0068171 2 1 2.1746567 0.7804577 0.9412124 -0.0041849 -0.0150019 -0.0064825 3 1 2.1070704 3.1485044 0.1120851 0.0037403 0.0114918 -0.0051175 4 1 2.2694768 2.7532745 2.4922054 -0.0053979 -0.0009947 0.0047829 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 0.2776708 -0.5245454 0.8287166 0.0057956 0.0043994 0.0064957 2 1 2.1746926 0.7807063 0.9411419 -0.0045190 -0.0158997 -0.0101486 3 1 2.1073282 3.1489548 0.1115152 0.0042503 0.0070248 0.0047821 4 1 2.2690732 2.7524587 2.4923682 -0.0055269 0.0044756 -0.0011291