lammps/examples/QM/LATTE/dump.8Sep22.aimd.mpi.2

ITEM: TIMESTEP
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.7 2.7 0 -0.601491 0.335597 -0.87242 -2.27066e-14 -1.33391e-14 2.31141e-14
2 2 1.35 4.05 1.35 8.2897 4.55901 5.97376 2.35473 2.21578e-14 7.40069e-15
3 2 4.05 4.05 1.35 1.7742 6.51885 0.385522 -2.35473 2.97071e-15 -2.01341e-14
4 1 2.7 1.65327e-16 2.7 -0.325605 -1.03244 0.724324 -2.90278e-14 6.77422e-15 2.86766e-15
5 2 1.35 1.35 4.05 2.42711 -1.49109 -2.41596 2.35473 5.79901e-15 -1.19594e-14
6 2 4.05 1.35 4.05 1.30688 0.784281 -1.73922 -2.35473 -1.38761e-14 1.09382e-14
ITEM: TIMESTEP
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ITEM: NUMBER OF ATOMS
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ITEM: BOX BOUNDS xy xz yz pp pp pp
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.69985 2.70008 -0.000218105 -0.601467 0.335616 -0.872428 0.00470101 0.00380515 -0.00141625
2 2 1.35212 4.05114 1.35149 8.64389 4.55886 5.97363 2.34251 -0.00209926 -0.00172976
3 2 4.0504 4.05163 1.3501 1.41949 6.51866 0.385561 -2.34936 -0.00247497 0.00051716
4 1 2.69992 -0.00025811 2.70018 -0.325581 -1.03243 0.724334 0.00481137 0.00249244 0.00195665
5 2 1.35065 1.34963 4.0494 2.78199 -1.49112 -2.4159 2.3517 -0.00043711 0.000874754
6 2 4.05028 1.3502 4.04957 0.951796 0.784184 -1.73923 -2.35436 -0.00128625 -0.00020256
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ITEM: BOX BOUNDS xy xz yz pp pp pp
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.6997 2.70017 -0.000436214 -0.601396 0.335673 -0.872449 0.00939888 0.00756163 -0.00288164
2 2 1.35432 4.05228 1.35299 8.99615 4.55837 5.97323 2.32921 -0.00431846 -0.00355855
3 2 4.05071 4.05326 1.35019 1.06567 6.5181 0.385678 -2.34304 -0.00494314 0.00103532
4 1 2.69984 -0.000516214 2.70036 -0.325507 -1.03239 0.724364 0.00976944 0.00512657 0.00403686
5 2 1.35139 1.34925 4.04879 3.13634 -1.49122 -2.4157 2.34776 -0.000851489 0.00177498
6 2 4.05048 1.35039 4.04913 0.596838 0.783892 -1.73928 -2.3531 -0.00257512 -0.000406965
ITEM: TIMESTEP
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ITEM: NUMBER OF ATOMS
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ITEM: BOX BOUNDS xy xz yz pp pp pp
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.69955 2.70025 -0.00065433 -0.601277 0.335769 -0.872486 0.0141006 0.0112702 -0.00439552
2 2 1.35661 4.05342 1.35448 9.34633 4.55754 5.97255 2.31482 -0.00666433 -0.00549143
3 2 4.05093 4.05489 1.35029 0.712875 6.51717 0.385873 -2.33577 -0.00740896 0.00154764
4 1 2.69976 -0.000774304 2.70054 -0.325382 -1.03232 0.724417 0.0148831 0.00790884 0.00624833
5 2 1.35222 1.34888 4.04819 3.49003 -1.49137 -2.41536 2.3429 -0.0012407 0.00270313
6 2 4.05058 1.35059 4.0487 0.242138 0.783407 -1.73935 -2.35094 -0.00386511 -0.000612161
ITEM: TIMESTEP
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ITEM: BOX BOUNDS xy xz yz pp pp pp
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.6994 2.70034 -0.000872457 -0.60111 0.335902 -0.872539 0.0188131 0.0149318 -0.00595718
2 2 1.359 4.05456 1.35597 9.69425 4.55635 5.97156 2.29933 -0.00914346 -0.00753331
3 2 4.05107 4.05652 1.35039 0.361248 6.51586 0.386144 -2.32753 -0.00987687 0.00204727
4 1 2.69967 -0.00103238 2.70072 -0.325204 -1.03223 0.724492 0.020161 0.0108455 0.00859866
5 2 1.35314 1.34851 4.04758 3.84292 -1.49159 -2.41488 2.33711 -0.00160232 0.00366164
6 2 4.0506 1.35078 4.04826 -0.112168 0.782727 -1.73946 -2.34789 -0.00515472 -0.000817084
ITEM: TIMESTEP
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ITEM: BOX BOUNDS xy xz yz pp pp pp
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.69925 2.70042 -0.0010906 -0.600896 0.336071 -0.872607 0.0235434 0.0185473 -0.00756588
2 2 1.36146 4.0557 1.35747 10.0397 4.55478 5.97026 2.2827 -0.0117623 -0.00968894
3 2 4.05111 4.05815 1.35048 0.0109366 6.51419 0.386489 -2.31832 -0.0123511 0.00252727
4 1 2.69959 -0.00129042 2.70091 -0.324972 -1.0321 0.724592 0.0256115 0.0139425 0.0110953
5 2 1.35414 1.34814 4.04698 4.19487 -1.49186 -2.41425 2.33039 -0.00193394 0.0046529
6 2 4.05052 1.35098 4.04783 -0.465946 0.781852 -1.7396 -2.34393 -0.00644244 -0.00102066
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ITEM: NUMBER OF ATOMS
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ITEM: BOX BOUNDS xy xz yz pp pp pp
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.6991 2.7005 -0.00130876 -0.600633 0.336277 -0.872692 0.0282985 0.0221175 -0.00922083
2 2 1.36401 4.05684 1.35896 10.3827 4.55279 5.96863 2.26494 -0.0145272 -0.0119629
3 2 4.05107 4.05978 1.35058 -0.337913 6.51214 0.386904 -2.30814 -0.0148362 0.00298071
4 1 2.69951 -0.00154843 2.70109 -0.324684 -1.03194 0.724717 0.0312427 0.0172058 0.0137455
5 2 1.35523 1.34776 4.04638 4.54573 -1.49217 -2.41347 2.32273 -0.00223319 0.00567932
6 2 4.05036 1.35117 4.04739 -0.819058 0.780784 -1.73977 -2.33906 -0.00772673 -0.00122181
ITEM: TIMESTEP
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ITEM: NUMBER OF ATOMS
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ITEM: BOX BOUNDS xy xz yz pp pp pp
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.69895 2.70059 -0.00152695 -0.600322 0.336519 -0.872794 0.0330853 0.0256435 -0.0109212
2 2 1.36665 4.05797 1.36045 10.7228 4.55038 5.96665 2.24601 -0.0174443 -0.0143597
3 2 4.05094 4.0614 1.35068 -0.685154 6.50971 0.387385 -2.29698 -0.0173365 0.00340068
4 1 2.69943 -0.00180639 2.70127 -0.324338 -1.03175 0.724871 0.0370626 0.020641 0.0165564
5 2 1.35641 1.34739 4.04577 4.89536 -1.49253 -2.41254 2.31411 -0.0024977 0.00674323
6 2 4.05012 1.35137 4.04696 -1.17137 0.779522 -1.73997 -2.33329 -0.00900604 -0.00141944
ITEM: TIMESTEP
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ITEM: NUMBER OF ATOMS
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ITEM: BOX BOUNDS xy xz yz pp pp pp
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.6988 2.70067 -0.00174516 -0.599962 0.336797 -0.872914 0.0379108 0.0291262 -0.0126661
2 2 1.36938 4.05911 1.36194 11.06 4.54752 5.96429 2.2259 -0.0205196 -0.0168834
3 2 4.05073 4.06303 1.35077 -1.03064 6.50691 0.387927 -2.28482 -0.0198564 0.00378025
4 1 2.69935 -0.0020643 2.70145 -0.323932 -1.03153 0.725054 0.0430788 0.0242538 0.0195348
5 2 1.35768 1.34702 4.04517 5.24362 -1.49292 -2.41144 2.30452 -0.0027252 0.00784692
6 2 4.04978 1.35156 4.04652 -1.52274 0.778068 -1.7402 -2.32659 -0.0102788 -0.00161245
ITEM: TIMESTEP
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ITEM: BOX BOUNDS xy xz yz pp pp pp
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.69865 2.70076 -0.0019634 -0.599553 0.337109 -0.873051 0.0427817 0.0325667 -0.0144547
2 2 1.37218 4.06025 1.36343 11.3941 4.54418 5.96155 2.20459 -0.023759 -0.019538
3 2 4.05043 4.06466 1.35087 -1.37421 6.50372 0.388522 -2.27166 -0.0224003 0.00411244
4 1 2.69927 -0.00232215 2.70163 -0.323464 -1.03126 0.725268 0.0492987 0.0280495 0.0226874
5 2 1.35904 1.34664 4.04457 5.59036 -1.49335 -2.41017 2.29396 -0.00291347 0.00899259
6 2 4.04935 1.35176 4.04609 -1.87303 0.776422 -1.74045 -2.31898 -0.0115434 -0.00179972
ITEM: TIMESTEP
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ITEM: NUMBER OF ATOMS
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ITEM: BOX BOUNDS xy xz yz pp pp pp
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.6985 2.70084 -0.00218168 -0.599095 0.337456 -0.873207 0.0477049 0.0359661 -0.0162858
2 2 1.37507 4.06138 1.36492 11.7248 4.54034 5.95839 2.18206 -0.0271682 -0.0223275
3 2 4.05004 4.06628 1.35097 -1.71572 6.50015 0.389163 -2.25748 -0.0249726 0.0043903
4 1 2.69919 -0.00257993 2.70181 -0.322932 -1.03096 0.725515 0.0557294 0.0320331 0.0260207
5 2 1.36048 1.34627 4.04397 5.93543 -1.4938 -2.40872 2.2824 -0.00306026 0.0101825
6 2 4.04884 1.35195 4.04565 -2.2221 0.774587 -1.74074 -2.31042 -0.0127983 -0.00198013
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.69835 2.70092 -0.00240001 -0.598586 0.337838 -0.873382 0.0526872 0.0393256 -0.0181586
2 2 1.37805 4.06252 1.36641 12.0521 4.53597 5.9548 2.15829 -0.0307526 -0.0252554
3 2 4.04957 4.06791 1.35106 -2.05501 6.49619 0.389841 -2.24228 -0.0275775 0.00460683
4 1 2.69911 -0.00283763 2.70199 -0.322334 -1.03061 0.725796 0.0623777 0.0362096 0.0295409
5 2 1.362 1.3459 4.04336 6.27868 -1.49427 -2.40709 2.26985 -0.00316333 0.0114188
6 2 4.04824 1.35215 4.04522 -2.56981 0.772563 -1.74105 -2.30093 -0.0140417 -0.00215255
ITEM: TIMESTEP
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ITEM: NUMBER OF ATOMS
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ITEM: BOX BOUNDS xy xz yz pp pp pp
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.6982 2.70101 -0.00261837 -0.598027 0.338253 -0.873575 0.0577351 0.0426463 -0.0200718
2 2 1.3811 4.06365 1.3679 12.3757 4.53105 5.95076 2.13326 -0.0345179 -0.0283253
3 2 4.04901 4.06953 1.35116 -2.39194 6.49183 0.390547 -2.22604 -0.0302194 0.00475506
4 1 2.69903 -0.00309524 2.70217 -0.321667 -1.03022 0.726114 0.06925 0.0405836 0.0332542
5 2 1.36362 1.34552 4.04276 6.61997 -1.49475 -2.40527 2.25627 -0.00322051 0.0127037
6 2 4.04756 1.35234 4.04478 -2.91602 0.770353 -1.74139 -2.29048 -0.0152721 -0.00231583
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.69805 2.70109 -0.00283679 -0.597416 0.338702 -0.873788 0.0628554 0.0459295 -0.0220243
2 2 1.38423 4.06478 1.36939 12.6954 4.52555 5.94625 2.10694 -0.0384688 -0.0315401
3 2 4.04837 4.07115 1.35126 -2.72634 6.48707 0.39127 -2.20874 -0.0329024 0.00482793
4 1 2.69895 -0.00335274 2.70236 -0.320929 -1.02979 0.726471 0.0763523 0.0451591 0.0371659
5 2 1.36531 1.34515 4.04216 6.95912 -1.49523 -2.40326 2.24165 -0.00322965 0.0140393
6 2 4.04678 1.35253 4.04434 -3.26057 0.767958 -1.74175 -2.27906 -0.0164877 -0.0024688
ITEM: TIMESTEP
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ITEM: NUMBER OF ATOMS
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ITEM: BOX BOUNDS xy xz yz pp pp pp
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.6979 2.70118 -0.00305527 -0.596753 0.339184 -0.874022 0.0680546 0.0491768 -0.0240145
2 2 1.38745 4.06591 1.37087 13.0111 4.51944 5.94124 2.07932 -0.0426096 -0.0349018
3 2 4.04765 4.07277 1.35136 -3.05804 6.4819 0.391997 -2.19038 -0.035631 0.00481829
4 1 2.69887 -0.00361013 2.70254 -0.320118 -1.0293 0.726868 0.0836894 0.0499393 0.0412807
5 2 1.3671 1.34478 4.04156 7.296 -1.49572 -2.40103 2.22598 -0.00318867 0.0154277
6 2 4.04593 1.35272 4.04391 -3.60334 0.765381 -1.74213 -2.26667 -0.0176868 -0.00261028
ITEM: TIMESTEP
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ITEM: NUMBER OF ATOMS
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ITEM: BOX BOUNDS xy xz yz pp pp pp
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.69775 2.70126 -0.0032738 -0.596036 0.339698 -0.874275 0.0733392 0.0523895 -0.0260413
2 2 1.39074 4.06704 1.37236 13.3225 4.51268 5.93571 2.05037 -0.0469451 -0.0384133
3 2 4.04685 4.07439 1.35146 -3.3869 6.47632 0.392716 -2.17093 -0.038409 0.00471919
4 1 2.69879 -0.00386739 2.70272 -0.319232 -1.02877 0.727309 0.0912666 0.0549279 0.0456036
5 2 1.36896 1.3444 4.04096 7.63043 -1.49619 -2.3986 2.20924 -0.00309551 0.0168709
6 2 4.04498 1.35291 4.04347 -3.94416 0.762625 -1.74253 -2.25329 -0.0188678 -0.0027391
ITEM: TIMESTEP
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ITEM: BOX BOUNDS xy xz yz pp pp pp
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.6976 2.70135 -0.00349241 -0.595266 0.340245 -0.87455 0.0787153 0.055569 -0.0281032
2 2 1.39411 4.06817 1.37384 13.6294 4.50526 5.92964 2.02007 -0.0514799 -0.042077
3 2 4.04596 4.07601 1.35155 -3.71274 6.47031 0.393413 -2.15039 -0.0412405 0.00452364
4 1 2.69871 -0.00412452 2.7029 -0.318268 -1.02819 0.727794 0.0990893 0.0601283 0.0501398
5 2 1.37091 1.34403 4.04036 7.96225 -1.49665 -2.39594 2.19142 -0.00294819 0.0183708
6 2 4.04395 1.3531 4.04304 -4.28288 0.759692 -1.74296 -2.2389 -0.0200287 -0.00285406
ITEM: TIMESTEP
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ITEM: NUMBER OF ATOMS
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ITEM: BOX BOUNDS xy xz yz pp pp pp
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.69745 2.70143 -0.00371108 -0.594441 0.340824 -0.874845 0.0841889 0.0587168 -0.0301987
2 2 1.39755 4.0693 1.37532 13.9317 4.49714 5.92301 1.9884 -0.0562187 -0.0458954
3 2 4.04499 4.07763 1.35165 -4.0354 6.46388 0.394073 -2.12872 -0.0441293 0.0042247
4 1 2.69863 -0.00438149 2.70308 -0.317223 -1.02755 0.728326 0.107162 0.0655439 0.054894
5 2 1.37294 1.34365 4.03976 8.2913 -1.49708 -2.39305 2.17248 -0.00274479 0.0199293
6 2 4.04284 1.35329 4.0426 -4.61936 0.756586 -1.74339 -2.2235 -0.0211679 -0.00295392
ITEM: TIMESTEP
18
ITEM: NUMBER OF ATOMS
6
ITEM: BOX BOUNDS xy xz yz pp pp pp
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ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.69731 2.70152 -0.00392983 -0.593559 0.341435 -0.875162 0.0897661 0.0618346 -0.0323262
2 2 1.40107 4.07042 1.3768 14.229 4.48829 5.91578 1.95532 -0.0611659 -0.0498706
3 2 4.04394 4.07924 1.35175 -4.3547 6.457 0.394679 -2.10593 -0.0470792 0.0038154
4 1 2.69855 -0.00463829 2.70327 -0.316095 -1.02686 0.728907 0.11549 0.0711775 0.0598705
5 2 1.37506 1.34328 4.03916 8.61741 -1.49747 -2.38993 2.15241 -0.00248344 0.0215483
6 2 4.04164 1.35348 4.04217 -4.95344 0.753309 -1.74385 -2.20706 -0.0222835 -0.00303744
ITEM: TIMESTEP
19
ITEM: NUMBER OF ATOMS
6
ITEM: BOX BOUNDS xy xz yz pp pp pp
0.0000000000000000e+00 1.0800000000000001e+01 3.3065463576978537e-16
0.0000000000000000e+00 5.4000000000000004e+00 3.3065463576978537e-16
0.0000000000000000e+00 5.4000000000000004e+00 3.3065463576978537e-16
ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.69716 2.7016 -0.00414866 -0.592621 0.342077 -0.8755 0.0954526 0.0649239 -0.0344841
2 2 1.40467 4.07154 1.37828 14.5213 4.47868 5.90795 1.92083 -0.0663258 -0.0540045
3 2 4.04281 4.08086 1.35185 -4.67049 6.44967 0.395215 -2.08198 -0.050094 0.00328881
4 1 2.69847 -0.00489492 2.70345 -0.314881 -1.02611 0.72954 0.124076 0.0770317 0.0650736
5 2 1.37725 1.3429 4.03857 8.94041 -1.49782 -2.38655 2.13119 -0.00216234 0.0232295
6 2 4.04036 1.35367 4.04173 -5.28496 0.749867 -1.74431 -2.18956 -0.0233735 -0.00310338
ITEM: TIMESTEP
20
ITEM: NUMBER OF ATOMS
6
ITEM: BOX BOUNDS xy xz yz pp pp pp
0.0000000000000000e+00 1.0800000000000001e+01 3.3065463576978537e-16
0.0000000000000000e+00 5.4000000000000004e+00 3.3065463576978537e-16
0.0000000000000000e+00 5.4000000000000004e+00 3.3065463576978537e-16
ITEM: ATOMS id type x y z vx vy vz fx fy fz
1 1 2.69701 2.70169 -0.00436758 -0.591624 0.342751 -0.875861 0.101254 0.0679866 -0.0366705
2 2 1.40833 4.07266 1.37976 14.8083 4.46827 5.89948 1.88489 -0.0717024 -0.0582989
3 2 4.0416 4.08247 1.35195 -4.98257 6.44189 0.395662 -2.05686 -0.0531772 0.00263798
4 1 2.69839 -0.00515135 2.70363 -0.313579 -1.0253 0.730227 0.132925 0.0831089 0.0705072
5 2 1.37953 1.34253 4.03797 9.26012 -1.49812 -2.38291 2.1088 -0.00177977 0.0249746
6 2 4.039 1.35386 4.04129 -5.61376 0.746262 -1.74478 -2.171 -0.0244362 -0.00315046