First atomset in PBE400 file s0000/md023.r
-3.17247284 14.40915304 6.01588055
0.00015217 0.00001693 0.00011551
6.69579617 0.11550297 27.74806890
0.00021790 0.00026826 0.00005964
-31.69695073 17.08930874 -24.70529690
0.00027161 0.00003725 0.00009119
18.30761403 10.18819399 8.27802042
0.00028963 -0.00039804 0.00029558
5.50716537 -8.78516124 5.55466889
-0.00043526 0.00003501 -0.00015805
8.08134729 21.26681152 -0.18371749
-0.00065059 0.00017439 -0.00009667
-10.62436566 -19.67690644 -15.68255795
0.00018019 0.00005253 0.00002767
10.22986058 -13.10161441 10.79995879
0.00007672 -0.00031970 0.00011572
9.06250994 -8.59445415 -5.17578248
0.00025929 0.00010017 -0.00020993
0.49346680 -0.45466646 15.01103967
0.00012420 0.00022712 -0.00001113
2.82754550 0.20449402 10.58103477
-0.00012845 -0.00017263 -0.00006790
-15.18772127 -5.25238345 9.69079202
-0.00013529 0.00001093 -0.00029470
-1.90539590 -4.24634362 -14.79986514
0.00028522 -0.00015937 -0.00009944
-3.06946520 2.93849667 -13.56509366
-0.00026762 0.00003064 0.00014997
1.31866258 -5.58893537 2.78515752
0.00033790 0.00007248 -0.00024528
-6.66421326 17.16115488 -14.43287503
0.00029347 0.00020151 -0.00017851
-25.39557115 -6.17241679 -10.05553204
-0.00049121 0.00040377 -0.00015403
-7.39621137 -15.92693498 12.54659113
-0.00015980 0.00002256 0.00021297
8.62754407 -17.92355390 3.66965760
-0.00007316 -0.00016556 0.00027292
12.91948809 18.14999535 -17.29608351
0.00004639 0.00029135 0.00021182
11.12759561 -12.93686821 17.21370964
-0.00020084 -0.00001504 0.00037555
-7.28229001 0.21858059 0.69467046
0.00011318 -0.00017207 0.00020211
-0.39868687 3.76418506 -5.83997640
0.00005074 -0.00019997 -0.00020906
10.19110868 -10.22186154 6.02785927
-0.00016335 -0.00020190 0.00004668
14.56943389 19.85203018 -10.46995426
-0.00008499 0.00009189 -0.00018948
-1.99165546 6.99929311 -25.48790025
-0.00008464 0.00024916 -0.00014274
13.27749202 -25.39366490 -3.39305918
0.00009925 -0.00035460 -0.00009992
-3.41936708 -0.64944767 -3.53639787
-0.00021712 0.00031689 0.00002185
-6.80602002 5.09519616 0.00524165
-0.00010841 -0.00018940 0.00012570
3.68928826 -2.80222531 20.60590517
0.00023586 -0.00008923 -0.00005606
16.10487442 -9.62426783 -5.28905515
-0.00034104 0.00002606 0.00006425
19.46564347 -8.37552586 0.32709618
0.00016363 0.00006318 0.00012815
4.75290956 15.60887087 0.23557564
-0.00019949 0.00005687 0.00024514
-8.87963827 -0.08944399 5.16829860
0.00013794 -0.00021521 0.00004485
1.78532102 -11.82099725 -15.65106765
0.00004623 -0.00006173 0.00011693
4.55036287 2.28459712 -25.96440569
0.00014126 0.00040679 0.00006669
-1.99528566 -1.41718560 2.39157293
0.00026329 -0.00002610 0.00074461
-2.15353315 11.73866424 -3.57343856
0.00011388 0.00007385 0.00022395
1.87921787 1.38400098 1.84482389
-0.00020619 -0.00006673 -0.00025462
-11.06110675 -16.45991544 -2.56308458
0.00040706 -0.00025085 0.00002298
1.20444510 6.25127383 1.83090982
0.00021668 0.00015553 -0.00030071
-8.49265774 13.63198356 12.65469860
-0.00034975 -0.00026317 0.00005757
-13.40814022 1.25234179 -9.08430417
-0.00005330 -0.00002017 -0.00015817
-5.40475025 -18.77450848 16.89330842
-0.00000153 0.00008600 -0.00003348
7.31112525 13.88422706 12.44073793
0.00007213 -0.00037468 0.00009630
-3.11984332 12.76340764 -9.22967380
0.00006738 0.00000080 0.00003489
4.71705668 10.05551792 1.50576440
0.00002917 -0.00005702 -0.00006730
2.10064102 -12.11049717 -10.37610949
-0.00001916 -0.00009656 -0.00005343
-37.07218449 5.44291020 -12.42434389
-0.00000912 -0.00000761 -0.00005126
15.33864902 7.18720785 4.33812078
0.00010897 -0.00000729 0.00005009
5.78553862 8.87051551 -5.25919148
-0.00003747 -0.00010522 -0.00028034
4.45197376 -3.16849160 7.25034203
-0.00019130 -0.00016887 0.00031044
26.35081572 -10.33607903 -3.59318375
-0.00007274 -0.00024769 -0.00050505
0.90417602 -16.81477297 6.90529527
0.00019109 -0.00010570 -0.00036565
11.38146815 -13.78556638 2.40064288
0.00027290 -0.00056656 0.00032693
7.67839356 -3.50011899 14.58411963
-0.00039286 -0.00007496 0.00000793
5.41980228 28.56096037 -13.80020438
0.00015385 0.00024241 0.00039989
3.32566291 -5.90647445 -6.78741945
0.00010554 0.00016186 -0.00014074
-7.61170118 1.81272105 -11.42242562
-0.00022511 0.00030173 0.00019588
-13.91880526 -7.12843261 -0.09322314
-0.00034781 -0.00006846 -0.00006756
-4.08615841 -0.59992463 -16.87225778
-0.00019773 0.00028331 0.00003367
-5.66424925 -4.45539286 16.94804998
-0.00036278 0.00005728 0.00013390
-19.81535585 -17.54447416 14.79912528
-0.00061619 0.00004010 0.00010068
9.26743002 1.80884396 19.48958187
0.00023604 -0.00001558 -0.00045976
-1.45973284 13.62177427 6.28573169
0.00071278 0.00013425 -0.00074196
-3.19083132 15.06455752 4.27193249
-0.00107038 0.00029772 0.00109923
7.44671022 1.78910759 27.89196750
0.00080976 -0.00034835 -0.00104256
7.47088751 -0.47452041 26.17177140
-0.00013386 0.00051603 -0.00064309
-33.03881545 16.27508690 -23.84965405
-0.00121367 0.00018811 0.00060341
-31.68626344 15.94331927 -26.17879954
0.00013349 -0.00066243 -0.00003704
19.93892903 9.25041650 8.16216380
0.00004821 0.00039988 -0.00073312
18.87300055 11.89882202 7.54364496
-0.00067621 -0.00027685 -0.00077083
5.49371071 -8.42134224 3.64893460
-0.00023126 -0.00011987 -0.00064444
4.99009401 -7.21425193 6.46023820
-0.00029361 -0.00006885 0.00024658
6.59520142 20.52631110 -1.22091906
-0.00089294 0.00013737 0.00045450
8.54601014 22.70021529 -1.45862079
-0.00129871 0.00045241 0.00062819
-9.86926135 -18.40975995 -16.91972472
0.00052175 0.00074743 0.00018116
-10.26281862 -21.24887671 -16.69806838
-0.00084901 0.00051840 -0.00107538
8.70643559 -12.30779161 11.56134995
-0.00047451 0.00107196 -0.00017732
9.65944373 -14.92736607 10.71591575
0.00015962 -0.00071661 0.00021016
8.61969067 -7.20849821 -6.14284123
0.00012956 0.00058876 -0.00010403
9.16322969 -8.17840710 -3.33163602
-0.00080127 -0.00016351 -0.00050178
1.13859680 -1.97472610 15.77775716
-0.00025680 -0.00049138 0.00057514
0.15007791 0.93585578 16.39441585
0.00009743 -0.00037759 -0.00057213
3.70583929 1.77524637 10.32659460
0.00001370 0.00046510 -0.00019287
1.78889517 0.04113990 12.11162227
0.00093891 -0.00029297 -0.00120894
-13.74166992 -4.90329570 8.59866890
0.00064280 -0.00068506 0.00038515
-16.53805599 -4.04935027 8.82130026
-0.00026473 0.00014744 0.00083288
-1.98206727 -4.67069898 -12.81800417
0.00029982 -0.00016193 0.00067226
-2.03254455 -5.93890113 -15.74675625
-0.00047514 0.00022098 0.00036887
-1.50168982 2.12921897 -12.94260604
-0.00005301 -0.00093246 -0.00004012
-4.57176640 2.14642541 -12.59565001
0.00037326 -0.00069345 -0.00072098
1.54139917 -4.82410995 4.52442920
0.00051501 0.00023118 0.00056860
-0.13458775 -4.51387324 2.27284269
0.00121258 0.00037765 -0.00055038
-6.72500416 15.41150299 -13.76601004
-0.00005008 -0.00041131 -0.00001939
-7.32220992 18.10912102 -12.91569066
-0.00091502 0.00076696 -0.00003296
-25.90417659 -7.94606917 -9.90035177
0.00007333 -0.00008287 0.00075448
-23.72500440 -6.02465466 -9.39967823
-0.00112259 0.00065014 0.00089193
-6.11134825 -15.39966489 11.30799859
0.00048084 0.00063693 0.00042324
-8.94484477 -15.15497684 11.94622777
-0.00015260 0.00080367 0.00027385
9.69351156 -16.62890659 2.74512382
0.00103657 0.00001301 -0.00037838
9.23409880 -17.66211989 5.37669404
0.00019612 0.00008361 -0.00025611
14.18131736 17.49105585 -16.03449498
-0.00020046 -0.00054072 0.00127040
11.89291539 16.66930698 -17.87485773
0.00112129 -0.00097516 -0.00023434
10.98336422 -13.10128937 15.34197392
-0.00026982 0.00034806 0.00009940
10.60523024 -11.02940210 17.48754587
-0.00031972 0.00096487 -0.00038166
-8.23365246 -0.04344844 2.24120646
0.00125427 0.00113475 0.00007754
-8.26398845 -0.41662456 -0.80416695
-0.00058129 0.00073346 -0.00061673
-2.06312394 3.81283874 -6.64416814
0.00096397 -0.00063223 0.00002321
-0.55501289 5.08602034 -4.52779998
-0.00059281 0.00004417 0.00029363
10.34656821 -10.82096188 7.79168764
0.00024270 0.00090735 0.00063701
8.42841206 -9.37799156 5.78977721
0.00029101 -0.00056497 0.00021128
12.96754223 19.11259865 -9.97921767
-0.00012089 -0.00041582 -0.00049202
15.55914511 19.80853058 -8.91835401
0.00037453 -0.00056672 -0.00021021
-0.93743605 6.79737194 -23.88506000
0.00053570 -0.00056115 0.00019638
-3.62280707 6.30993141 -24.95679033
-0.00106615 0.00113815 -0.00029316
11.58582185 -25.50944129 -2.69645759
0.00103151 -0.00020963 -0.00095953
13.86476941 -27.16310763 -3.01004120
-0.00015858 0.00038626 0.00015937
-3.87114481 1.11320791 -4.33798698
0.00003837 -0.00040576 0.00008523
-1.74699496 -0.35306546 -2.76099782
0.00035354 -0.00007639 0.00074925
-7.11254296 3.25874247 0.21501961
-0.00050183 0.00063884 -0.00121308
-8.28569244 5.63077495 -1.01298825
0.00036422 0.00051659 -0.00044311
4.05401847 -1.16446131 19.94922837
0.00045107 -0.00064572 -0.00101985
3.19287070 -3.78572815 19.10982852
0.00011550 -0.00081693 0.00164331
16.66009424 -8.11539464 -6.31653841
-0.00012461 -0.00027302 0.00014202
14.79740525 -10.47852014 -6.34739289
-0.00043524 -0.00051112 -0.00051984
21.11325869 -7.72928928 0.36769015
-0.00052300 -0.00034496 0.00078106
18.27930597 -7.20219696 -0.27454570
0.00099304 0.00048193 -0.00009448
3.88554619 14.38379233 -1.08252669
-0.00118842 -0.00017124 -0.00046542
3.44133093 16.99354389 0.78358869
-0.00038121 0.00073141 -0.00039707
-9.69506453 -1.75273313 5.39850611
-0.00011195 0.00026122 -0.00012069
-7.04959389 -0.41876110 5.64572236
-0.00001503 0.00068932 -0.00076400
3.27492207 -10.91080542 -16.52770940
0.00080683 0.00033092 0.00028328
1.68017822 -13.63398720 -15.89367928
0.00133276 0.00020070 -0.00008299
3.50164411 1.78087347 -24.46100138
-0.00006898 0.00120607 0.00049989
3.57746320 3.54004540 -26.78201621
0.00030789 0.00018861 0.00005681
-2.80182095 -1.11344027 4.25284209
0.00002476 -0.00039985 0.00010416
-3.43187738 -1.22771589 1.19898014
0.00024579 -0.00086179 0.00025362
-2.18512738 10.06197470 -2.71782116
0.00010799 0.00089220 -0.00026327
-3.21809321 12.82515320 -2.53811585
0.00087791 -0.00056874 0.00102632
0.16087775 0.33644794 2.14165961
0.00058668 0.00032451 0.00043123
3.26414648 0.58438570 2.83362966
-0.00098550 -0.00037352 0.00069969
-11.03685677 -15.33873010 -4.06998938
0.00059356 0.00068543 0.00033563
-11.29382034 -15.17914712 -1.20097889
0.00028062 0.00041554 -0.00006432
2.09331399 4.65875046 1.90776993
0.00041793 0.00073136 0.00028180
2.54778617 7.53411235 1.32654562
-0.00093054 -0.00023629 -0.00045416
-6.82005271 12.91439256 12.88949324
-0.00031273 -0.00077039 -0.00028456
-9.71927048 12.52439859 11.80279628
-0.00079553 0.00094001 0.00057372
-11.68608010 1.42341439 -8.42004206
0.00004855 -0.00000871 -0.00041581
-14.06157648 1.34815456 -7.32452545
-0.00033270 0.00074920 0.00108262
-6.06050686 -17.88887552 15.34893243
0.00005454 -0.00024642 -0.00125053
-6.11225860 -18.21122098 18.38297279
0.00073192 -0.00098620 -0.00037591
5.38311802 13.75260498 12.47345073
-0.00099075 0.00005135 0.00012921
7.74114452 15.42120414 11.44696095
0.00048023 0.00003038 -0.00043404
-1.33809789 12.12450891 -9.83459805
-0.00001310 -0.00040227 -0.00019598
-3.27642819 12.33742320 -7.42867522
0.00020846 0.00080370 0.00016430
6.27813812 9.20282301 1.99972212
0.00034953 0.00006776 -0.00053371
4.79648222 10.71394177 -0.17692558
0.00090165 -0.00007748 -0.00002728
2.97247235 -13.68316451 -9.88859025
-0.00046356 0.00124077 -0.00032998
2.19035321 -12.24792371 -12.32025037
-0.00018245 -0.00077873 0.00006688
-36.98424758 4.09778025 -11.06243408
0.00002087 -0.00016704 -0.00113909
-35.65055260 4.82251927 -13.55247536
0.00053902 -0.00004516 0.00002676
16.39230442 6.39217446 2.97009022
0.00054789 -0.00066993 -0.00016104
16.24798025 8.60418178 5.04503956
0.00053302 0.00014636 -0.00050400
5.11760437 7.86300924 -6.66684537
-0.00014919 -0.00070011 -0.00073449
7.57659818 9.15837408 -5.65144644
0.00068889 -0.00014667 0.00163512
4.90648425 -1.83517795 6.07920178
-0.00092367 -0.00054251 0.00096039
3.49482209 -2.43156815 8.68566200
0.00078675 -0.00090540 -0.00060074
27.18240990 -11.36579021 -4.92658919
0.00086438 0.00023258 -0.00028857
24.46577416 -10.83788556 -3.79724552
0.00102862 -0.00055997 0.00048210
0.86871156 -17.07572886 4.92202593
0.00020505 0.00009537 -0.00098732
-0.44568091 -18.05890878 7.28138974
-0.00009213 -0.00109545 -0.00012131
13.11713211 -14.59811516 2.47816041
-0.00001964 0.00024868 0.00027731
11.20918235 -12.11949327 3.39361411
-0.00020011 0.00022502 -0.00031053
8.36748493 -3.69343739 12.76040066
-0.00026171 -0.00036351 -0.00078480
8.63016004 -1.81878960 15.09335783
-0.00058987 0.00095915 0.00033073
7.24465739 28.70080298 -13.25345815
0.00047485 0.00068957 -0.00006586
5.13515874 29.85060368 -14.93026811
-0.00008938 -0.00061999 -0.00074704
3.99326756 -7.38104731 -5.95687014
-0.00036362 -0.00031153 0.00049853
4.60587971 -4.94880870 -7.57303102
0.00070406 0.00118916 0.00000022
-8.25003474 2.77601323 -12.76262008
-0.00057105 -0.00094759 -0.00042868
-8.04210940 0.02776069 -11.63219499
-0.00064620 -0.00078619 -0.00010904
-15.74935989 -7.32516353 0.19120242
0.00067459 -0.00092735 -0.00041758
-13.57529875 -5.28609573 -0.38942124
0.00025460 0.00063707 0.00026533
-3.51930917 -2.24663138 -15.95639855
0.00105207 0.00100848 0.00076277
-3.41810716 0.71503365 -15.77585529
0.00109609 0.00070661 -0.00027008
-4.29712484 -4.73665843 15.69833707
-0.00038682 0.00006295 -0.00005306
-4.72311878 -3.45672363 18.18064175
-0.00024949 0.00054255 0.00012112
-19.14701012 -17.80758950 13.11972177
0.00067608 -0.00033418 -0.00044608
-21.43554270 -18.19363287 14.62734885
0.00087197 -0.00063742 -0.00115519
10.74897708 3.00585875 19.35875913
-0.00080865 -0.00040300 0.00009439
7.80078686 2.84072673 20.16996195
0.00078985 0.00143757 -0.00046971