First atomset in SCAN330 file ../mddata/s0006/md024.r
15.37278441 8.78213146 0.26212957
0.00003697 -0.00015412 -0.00023425
-2.14543799 -8.93927763 -8.35485574
0.00008817 -0.00005189 0.00012814
-25.42325559 -8.10894961 0.32622681
-0.00004692 0.00001228 -0.00013333
-17.98752355 11.02148186 34.57294729
-0.00008927 -0.00027942 -0.00033092
2.53282638 16.20412484 -10.21948257
0.00000628 0.00024683 0.00003510
-32.84980759 -5.72918888 9.87300465
-0.00003571 0.00028223 -0.00022076
-18.23544385 -2.44011254 2.37846941
0.00041882 -0.00035654 -0.00007480
-1.72807912 0.51432785 -7.03134786
-0.00017536 -0.00006812 0.00001565
-12.54950090 2.57627564 6.58229004
0.00009486 -0.00014172 -0.00030943
22.88741568 -18.32138408 10.10792342
-0.00017761 0.00013377 0.00024239
10.59453553 -18.32844209 -9.51808268
-0.00016245 0.00020178 -0.00011505
7.15217762 28.74442770 4.73499494
-0.00037909 -0.00001900 0.00009563
-14.65982573 14.41061503 -11.00169127
0.00017330 0.00007202 0.00006932
-2.90970419 10.36949333 -5.46668407
-0.00004414 -0.00014137 0.00000257
-18.44659901 0.47877824 -14.38750948
-0.00005589 0.00018729 0.00001514
19.94298363 24.68190837 2.05488841
0.00001788 -0.00000378 -0.00011685
-8.40315937 14.81248607 3.61486512
-0.00016606 -0.00010267 0.00004219
-5.27742199 12.73200795 7.41263392
-0.00013318 -0.00028008 -0.00034160
-9.60094159 -15.19769958 16.31768186
-0.00016302 0.00026126 0.00042235
-10.85073090 22.86635984 2.66656697
0.00013007 0.00000031 0.00008022
-14.48539988 -1.69841866 -6.79922720
-0.00017392 0.00000185 0.00019883
-6.55531744 -1.05282215 -5.80700862
-0.00020953 -0.00003962 -0.00027850
21.87474814 -23.43282758 -12.44408806
-0.00002040 0.00004284 -0.00022613
32.72991847 16.63497227 -29.65161749
-0.00014142 -0.00027647 0.00020739
16.79711994 -0.72979624 9.54722057
-0.00005469 0.00001716 0.00005145
0.44607001 -24.77098859 5.36733588
0.00008561 0.00024820 0.00003461
6.99627174 -5.62319943 -14.79528938
0.00033956 -0.00016400 0.00022474
5.33546930 4.68616989 -7.55464222
-0.00008156 -0.00015429 -0.00009791
-2.70672480 17.04668276 5.75403722
0.00023201 0.00016644 0.00005676
4.96942593 10.21394355 -4.63196523
0.00020553 0.00010670 -0.00013289
9.25890405 -5.14721489 4.18858368
-0.00043305 -0.00022702 -0.00013995
-8.10714726 -18.87959561 8.65578959
0.00019311 -0.00022603 -0.00000678
9.96774272 8.89577495 -13.96805199
0.00006830 0.00045207 -0.00012628
23.87478905 -14.89228425 -1.88964554
-0.00003538 -0.00015149 0.00032242
13.47203050 12.67320771 -12.61054387
-0.00043688 0.00020507 0.00020625
-6.83121326 -5.90840591 -8.17494883
0.00021634 -0.00006316 -0.00000205
-14.79026176 -18.49472317 -2.99162550
-0.00007148 0.00005148 0.00017907
-9.79552160 24.44374515 -2.05616111
-0.00004048 -0.00018961 0.00004939
0.22586804 -12.63368583 2.75690495
0.00007707 0.00014311 0.00017495
22.83776249 -1.84404454 -1.59871063
0.00006715 0.00012548 -0.00016487
-21.90030817 12.40222803 -15.61361310
-0.00004465 0.00007879 -0.00007025
6.80701382 -12.51382750 5.55255282
0.00011824 -0.00003341 -0.00018518
41.08479680 -2.39253258 4.67730155
0.00006586 0.00017976 -0.00004405
10.82936975 -1.77055626 -14.00463925
0.00023583 -0.00004856 0.00011004
10.28542071 9.04087275 -0.11335073
-0.00008229 0.00010955 0.00003036
1.54088358 -28.76509749 -14.53450123
-0.00005894 -0.00030030 0.00020376
-2.46784494 5.60342007 -7.97729863
0.00022681 0.00013520 0.00018609
5.39375109 -8.13062848 -2.65067754
0.00004514 -0.00009182 0.00006217
-18.72843918 0.10527508 -9.42551490
0.00021703 0.00014231 0.00001721
-1.75915430 -12.77514473 -11.71722418
-0.00012403 -0.00000027 -0.00003463
-7.38367089 -18.54041290 -3.98152538
0.00006521 -0.00031366 -0.00016355
-29.54220008 5.36081952 -19.59432359
-0.00004495 -0.00001147 0.00006291
-2.66761217 -15.38598431 6.15253945
0.00003277 0.00015647 -0.00012863
-6.90499679 8.66319344 -11.25624525
0.00007767 0.00004046 -0.00004036
1.01603620 3.65229206 -0.35965010
-0.00033867 0.00020449 0.00021546
14.09353605 -9.89702507 -5.86757222
0.00001340 -0.00010699 0.00007867
-15.51292450 13.82785448 1.65862393
-0.00021588 0.00040064 0.00005322
-17.83887780 -2.97578807 -2.80782459
0.00005614 -0.00014511 -0.00020054
5.76339621 2.62892890 1.04814951
-0.00000891 -0.00020143 0.00004459
2.26233799 9.10402195 -8.92349813
0.00014821 -0.00007344 0.00006152
-10.30318573 -23.13775559 -9.04270737
0.00010611 0.00015273 0.00015122
4.46641616 5.93121617 -14.44052454
-0.00014191 0.00005571 -0.00013347
-6.55991021 13.50239733 -0.82077432
-0.00025369 -0.00023996 0.00023138
1.61200276 -3.41502213 16.70452340
0.00022775 0.00017496 -0.00003730
13.57685140 9.03162752 0.28710727
-0.00032389 0.00005314 -0.00070983
16.16934206 10.28480170 -0.70806414
0.00041492 0.00013028 -0.00016462
-3.54566072 -7.84463393 -8.39152989
0.00093150 -0.00033305 -0.00031246
-2.62696039 -10.35745864 -7.21727524
-0.00096400 0.00071821 -0.00105915
-25.26012939 -7.50892490 2.09961346
-0.00040709 0.00008760 -0.00074245
-24.84954362 -6.81967191 -0.78638103
0.00076872 -0.00004862 0.00054079
-16.84502398 12.48183819 35.19527717
-0.00007077 0.00058669 0.00081475
-19.26166285 12.00889652 33.57034015
0.00063382 -0.00039713 -0.00016598
2.64569083 17.62377444 -9.00878557
0.00038987 0.00088389 -0.00196732
1.15551296 15.24328188 -9.51160488
-0.00038483 0.00040321 0.00020695
-34.29351410 -4.99247005 8.84490396
0.00009051 0.00072878 0.00004650
-33.25808697 -7.58360283 10.18701294
-0.00012778 0.00057223 0.00010559
-17.81558486 -0.65803218 2.56772554
-0.00000843 -0.00014619 0.00034238
-18.22517302 -2.63140297 0.50665195
-0.00017560 -0.00007271 0.00090786
-1.87764364 0.32276415 -8.96935669
0.00019585 0.00041574 -0.00054756
-2.05478719 2.28086899 -6.74478541
-0.00074446 0.00012761 -0.00075984
-13.40788078 1.28653479 7.53840430
-0.00034723 0.00116322 -0.00050430
-13.98338958 3.76671827 5.82686997
0.00045798 0.00090066 -0.00001666
22.77027534 -20.17079243 10.10686357
0.00020761 0.00012942 -0.00003309
22.07300134 -17.73337630 8.54462163
0.00003955 -0.00051377 0.00094976
8.95270772 -18.20450942 -8.67049732
-0.00017579 -0.00022315 0.00040961
11.71623433 -17.09603535 -8.49102226
-0.00001548 -0.00099168 0.00015480
6.61106678 27.76493089 3.22310934
-0.00012035 0.00047227 -0.00009652
5.94242286 28.77953437 6.10344812
-0.00044365 0.00034871 -0.00020746
-14.94507626 15.19251263 -9.28519532
-0.00019334 -0.00065875 -0.00012695
-12.86940019 13.97618297 -11.09481170
-0.00072904 0.00101653 0.00056813
-1.76849630 10.33971910 -3.92191627
-0.00082754 0.00055391 -0.00039493
-2.38348816 8.86848498 -6.51207880
-0.00086849 0.00075753 0.00055592
-19.38180064 -0.68604343 -15.53199226
-0.00053760 0.00017507 0.00068303
-18.62287002 2.27906351 -15.04813528
0.00082787 0.00020049 -0.00054599
19.84134438 23.36449750 0.73026341
-0.00001970 -0.00026604 0.00016862
18.59183385 25.96892736 1.92461264
-0.00039555 0.00054486 -0.00080404
-7.90131016 14.42454944 1.87259364
-0.00077290 0.00095348 -0.00045654
-10.22212027 15.24949665 3.58405646
-0.00049905 -0.00051190 -0.00014399
-6.58665847 13.36325021 6.18874398
-0.00045723 -0.00019125 -0.00091279
-6.13384229 12.87638163 8.97490432
0.00027300 -0.00020006 0.00015874
-8.27635487 -15.09610103 15.03953355
-0.00057283 0.00006818 -0.00026107
-8.97819310 -16.35557842 17.61988332
0.00004057 0.00006948 -0.00035812
-11.42714207 23.91896579 4.05270523
0.00036395 0.00000859 -0.00056085
-9.16807255 22.28270810 3.22964583
0.00029435 0.00052000 -0.00099549
-12.92793179 -0.88795092 -7.06869815
-0.00032594 0.00004471 0.00007777
-15.66239621 -1.26498592 -8.18705716
0.00011992 -0.00049982 -0.00037864
-4.72056227 -0.77478112 -6.10953003
0.00026895 -0.00056633 0.00017184
-6.83013535 -2.58980457 -6.77624877
-0.00022640 -0.00047986 0.00033429
20.23664282 -24.13438696 -13.06027442
-0.00035363 0.00082534 -0.00039088
23.12312055 -24.62066605 -13.29203952
0.00018453 0.00037672 -0.00055081
32.80930665 18.52711737 -29.82520598
-0.00103520 -0.00047446 0.00004760
31.32643802 16.22767500 -28.48486855
0.00062863 0.00020826 -0.00050982
15.14944469 -0.74931234 10.43914855
-0.00020560 0.00025667 0.00045268
16.65291645 -1.73992395 7.94862015
0.00001454 -0.00021743 -0.00031971
1.73748115 -25.56045267 4.12403411
0.00135506 -0.00007593 -0.00030606
-0.31385984 -23.36040496 4.42308114
0.00001232 -0.00006915 0.00093672
7.74051652 -5.52425882 -16.57043137
-0.00043004 -0.00033265 0.00106021
8.02383789 -6.69424251 -13.72593351
0.00080431 0.00006673 0.00115366
4.29454290 5.70118988 -8.70137510
-0.00088949 0.00044827 0.00003025
4.96941824 2.91369942 -8.10308000
0.00012322 -0.00022467 -0.00000615
-1.52814492 17.97260771 6.75249050
-0.00016482 0.00018446 -0.00064676
-3.57340753 15.78167900 6.82086744
0.00000842 -0.00021045 0.00032712
6.51001118 9.20342331 -4.66895911
-0.00060183 -0.00023028 0.00011159
4.07842558 10.15746683 -6.25434554
0.00011268 -0.00002568 -0.00011689
7.81640227 -4.07694676 3.65122463
-0.00042706 -0.00026008 0.00007921
10.66377549 -3.99994990 3.72405431
0.00011251 -0.00011263 -0.00069707
-7.18873039 -20.56165291 8.64648978
0.00010315 -0.00032471 0.00003941
-9.73569595 -19.51330432 8.05518056
0.00051460 -0.00016832 -0.00008388
8.30935476 9.73540123 -13.42637841
0.00005084 0.00035124 0.00138582
10.04869025 7.43701655 -12.78489759
-0.00028999 -0.00060197 -0.00106193
23.96974249 -14.28347416 -0.07945567
-0.00026154 0.00003072 0.00036778
25.52519674 -14.59948545 -2.75061656
-0.00010308 0.00060953 -0.00063083
12.32222176 11.20455394 -13.25183295
-0.00043749 -0.00123415 0.00007766
14.39143414 11.88681868 -11.36519098
0.00039433 0.00038275 0.00052070
-7.78545749 -7.16249179 -7.47936736
-0.00033578 -0.00011427 0.00094773
-7.68863822 -5.79221415 -9.84198434
0.00026004 -0.00002312 0.00025079
-15.99289270 -18.67391831 -4.30079940
0.00023537 0.00006842 0.00031803
-13.25183608 -19.37168793 -3.38075505
0.00008785 -0.00103721 0.00029394
-9.68856204 24.48244365 -0.25782916
-0.00007667 -0.00003653 -0.00015024
-8.56976425 23.16918798 -2.66950244
-0.00080306 -0.00056191 -0.00033739
-0.88768304 -13.60797402 3.83345141
0.00136746 0.00012255 -0.00033034
-1.06709992 -11.38091084 2.21946864
0.00043336 0.00035697 0.00030290
22.47437966 -0.75146522 -2.94811330
-0.00044678 0.00013108 -0.00024538
24.49311178 -1.18753319 -0.99565273
0.00003886 -0.00038026 -0.00040821
-22.01496926 12.08014825 -17.40055107
0.00092101 0.00013457 0.00016546
-22.16086517 14.20027125 -15.43200111
0.00017644 -0.00121623 0.00039499
7.75604456 -14.10108397 5.15497449
0.00105226 -0.00071557 -0.00009269
5.53969007 -12.92442953 6.71017470
0.00047459 0.00025274 0.00056046
42.10123067 -1.09656704 3.96571890
-0.00017737 0.00056196 0.00126325
42.09435792 -4.01284660 4.98159733
-0.00051717 0.00034528 0.00046706
9.27874551 -2.72191135 -13.60354432
-0.00093819 -0.00035038 -0.00060955
11.47178297 -1.11552847 -12.30001338
0.00006225 0.00003737 -0.00013997
9.70231344 10.42218015 0.99315214
0.00022988 0.00013779 -0.00103349
8.75454183 7.94743163 -0.39148892
0.00035751 -0.00116593 -0.00026140
1.64696729 -29.80400382 -12.93765044
0.00028466 0.00027974 0.00100637
3.30742294 -28.33832456 -14.91518990
0.00017701 -0.00062691 -0.00066260
-4.30569079 5.27009652 -8.05907764
0.00100713 0.00021741 -0.00007086
-1.96848196 5.45515938 -9.71421207
-0.00064227 0.00019021 -0.00019876
6.39926854 -8.98347241 -1.35471409
0.00055466 -0.00034712 -0.00006139
4.52083504 -9.62729731 -3.31812037
0.00010394 -0.00034630 -0.00010812
-19.42645842 0.30788154 -11.22096270
0.00051913 -0.00021873 0.00063736
-19.82066040 -1.13682495 -8.48456204
0.00136095 -0.00004122 0.00065659
-0.50592998 -12.35175414 -13.13690476
-0.00033252 0.00067449 0.00039812
-2.19746896 -11.07011855 -10.98133041
-0.00029577 -0.00027166 0.00024479
-7.68860463 -17.74753561 -2.38916064
0.00051698 -0.00031570 -0.00024069
-8.31134988 -20.19694618 -3.45865096
0.00036550 -0.00042161 0.00056315
-30.41247190 5.09311810 -18.04038744
0.00052700 -0.00088049 -0.00014597
-30.60277773 6.40036439 -20.71707333
0.00000520 -0.00111136 -0.00018323
-3.81909168 -14.10702415 6.88607023
0.00013407 -0.00052708 -0.00135985
-3.87932458 -16.35739021 5.24387765
0.00035639 -0.00001893 -0.00052623
-5.07717454 8.75680362 -11.44296405
-0.00052007 -0.00050823 0.00033500
-7.52951162 7.38661906 -12.43419943
0.00036821 -0.00048360 -0.00029653
0.75130013 5.42310275 -0.81027775
0.00127056 0.00016913 0.00045313
-0.53468929 2.98292242 0.44114009
0.00011962 0.00030477 0.00070222
12.34576891 -9.41990402 -5.77185294
-0.00001347 0.00038679 0.00028307
14.28470548 -11.71356006 -6.37132162
-0.00130432 -0.00004981 -0.00057610
-14.84684567 15.41772181 2.44814057
0.00011523 0.00022288 -0.00045057
-16.27271464 12.98263881 3.13461788
0.00012036 -0.00055435 0.00030149
-16.17478419 -2.31243748 -3.37100367
0.00032780 -0.00001841 0.00009358
-17.68669625 -4.88990206 -2.79119956
-0.00062056 0.00032615 0.00039399
4.03278143 3.08137744 0.78845982
0.00072293 0.00003337 0.00008525
6.78889986 3.22038966 -0.39097092
0.00031929 -0.00086975 -0.00020426
3.41063128 9.79963056 -10.14088321
-0.00134679 0.00012537 0.00015679
0.68189592 9.56153761 -9.79495632
0.00025108 0.00025363 0.00015913
-8.90750233 -22.95998337 -8.01071617
0.00022906 0.00093371 -0.00025877
-10.93057881 -21.35572124 -9.08504688
0.00089816 -0.00046956 -0.00048903
2.57660287 5.93737888 -14.26193319
-0.00010347 -0.00066923 -0.00068718
5.12639427 7.42550559 -13.74054607
-0.00002840 0.00067562 0.00000998
-4.82295919 14.21941381 -0.81213682
0.00054736 0.00028406 0.00013998
-7.18544193 13.89358512 -2.48918369
0.00078483 0.00013366 0.00070235
2.10608148 -3.51983905 18.48823244
0.00066395 0.00033302 -0.00032776
0.15031190 -2.28386665 16.69012377
-0.00024587 -0.00010576 0.00076156