First atomset in PBE400 file s0002/md015.r
-3.09271664 -29.41457329 5.87065885
-0.00054269 -0.00039837 -0.00002922
2.21088360 1.85380883 5.31953643
-0.00008254 0.00020566 0.00005985
19.28035244 10.81461422 1.09960312
-0.00000380 -0.00013934 -0.00014308
-5.70664059 0.64695194 9.72143496
0.00023139 0.00026433 -0.00009236
-13.60762375 2.25578380 6.04805205
0.00014661 0.00032098 -0.00021235
16.05948807 -3.29921594 7.51380817
-0.00003601 -0.00020263 -0.00029598
-3.88454726 8.13762532 -4.99495111
0.00001720 0.00050377 -0.00048039
-4.50626777 -2.17241120 -2.50173042
-0.00024831 -0.00002188 -0.00011147
6.70427391 2.09297627 -8.72342066
0.00023005 0.00036468 -0.00005915
-15.07679023 -16.17261237 -8.32424043
0.00007977 -0.00024920 -0.00002426
16.11816265 -6.32081457 -2.96276631
-0.00002047 0.00000245 0.00013795
-2.57040482 13.03381887 8.11729064
-0.00027169 0.00000136 -0.00012974
17.17204080 -8.23238555 2.54972363
-0.00008242 -0.00054311 0.00023084
0.29374934 -1.77942836 -0.48743760
0.00000843 -0.00003243 -0.00022624
-8.64023353 8.99302011 -3.01324622
0.00007589 0.00021167 -0.00022767
-0.27668524 -17.60597037 -11.15332687
-0.00012024 0.00060570 0.00013961
2.86625487 -8.31390880 -6.01809517
0.00011169 -0.00024799 0.00014329
2.05879542 5.33420168 -0.20297733
-0.00018188 -0.00022674 -0.00003546
-12.76908932 -3.44827423 0.24133815
-0.00006932 -0.00014947 -0.00014170
-7.57214776 -2.79829459 2.03761666
0.00036206 -0.00047881 -0.00017120
13.93409672 3.11090013 -3.52940973
0.00009682 0.00025269 -0.00047410
13.19232208 -6.31181249 12.03219888
0.00019880 -0.00006518 0.00026609
-8.04019309 7.75401250 -11.50938286
0.00007601 -0.00050348 0.00017291
3.78145971 10.00932298 -20.37380302
-0.00038507 -0.00006037 0.00020546
-7.93463732 -9.56062877 -15.12211158
0.00010185 -0.00002084 -0.00009161
0.44340378 -12.76841557 -4.36849750
0.00012918 0.00044666 -0.00007126
-12.29956307 0.03891952 13.85408422
0.00013843 0.00005905 -0.00018350
3.88965342 6.45051351 7.25080210
-0.00004401 0.00002532 0.00012345
-8.50771156 4.04884642 5.47293530
-0.00017454 0.00035156 -0.00018841
9.64300240 5.46866907 -1.77405671
-0.00015455 -0.00013354 0.00013744
9.23255810 -2.04038548 -4.76119397
-0.00017002 -0.00020631 -0.00014925
-1.90953184 1.66533850 -9.46252819
-0.00017385 0.00019012 -0.00023240
-1.33275049 7.88872927 7.75479955
0.00008767 -0.00021024 0.00021627
-5.99354762 11.12387880 -8.72510204
0.00008727 -0.00015255 -0.00024898
-15.56639364 13.02662673 1.84351839
-0.00045509 -0.00002098 0.00020870
5.78966202 15.97682402 -1.38928475
0.00035868 0.00004936 0.00002493
0.91581699 -3.85635278 -6.94690849
0.00011455 -0.00002722 -0.00018926
-14.82490477 -12.32883908 9.07620800
-0.00025819 0.00004559 0.00000660
-10.25780122 -18.75912052 15.02524022
0.00001891 0.00001612 0.00009093
13.79812424 -9.50698549 -6.82522668
0.00014800 0.00037965 -0.00009568
4.37382303 22.12278570 19.59016289
-0.00016358 -0.00003473 -0.00014811
8.67383449 5.69259892 -13.93169824
0.00005259 -0.00014342 0.00034056
8.47346505 -7.28521314 9.68706524
0.00000541 -0.00056057 0.00004741
-1.95256406 2.79554563 1.20332478
0.00028110 0.00044573 -0.00011236
-12.18487055 -14.33343939 1.38113860
-0.00014758 -0.00001360 -0.00003058
0.24844291 13.32966071 0.77353216
0.00006636 0.00011608 -0.00001713
-20.84558508 10.12338525 12.64758904
0.00035532 -0.00011122 0.00019510
3.86099218 -5.55504803 7.69510186
-0.00011882 -0.00002914 -0.00036341
6.88748806 17.60872408 -9.21684279
-0.00002818 0.00008295 0.00000686
-5.33731681 -4.95385774 -9.39202597
-0.00012429 0.00010008 0.00027008
11.16538608 -7.54019835 3.65878028
0.00013479 -0.00001741 0.00021677
11.15994765 -2.24125164 8.61906544
0.00030151 -0.00022896 0.00027138
6.05238708 -13.72503477 19.58988440
-0.00010148 0.00046121 -0.00025241
4.60157866 21.50545536 -11.81607524
0.00014799 0.00020344 0.00018109
2.26326673 -5.91993102 2.32187279
0.00010965 -0.00044327 -0.00006376
5.62858475 2.32052902 -0.96009746
-0.00000345 -0.00018493 0.00026346
-4.45481235 6.81711657 4.46502645
0.00024048 -0.00039271 0.00024216
-10.41847503 -13.72103009 -17.28923751
-0.00018336 -0.00003894 -0.00011867
3.68505395 -10.53155528 8.42512502
0.00008074 -0.00013351 0.00022887
-1.12666409 13.28238682 -9.84789361
0.00004534 -0.00002654 -0.00015815
-8.25439647 -1.18991835 -7.47362693
-0.00016681 -0.00005254 0.00009630
-1.03090809 -0.76228783 8.07144206
0.00004140 -0.00024909 0.00000354
19.46920916 2.48617094 -4.83986847
0.00008232 0.00007561 -0.00012235
-16.63927475 -1.04782771 2.26843961
0.00001248 -0.00006792 -0.00021481
-2.14539102 -30.76197594 6.77184183
0.00012370 0.00021949 0.00022114
-2.22094915 -27.77189650 6.03171731
-0.00019047 0.00032546 0.00063607
3.67528513 0.91208139 4.82974658
0.00117019 -0.00061576 0.00010009
2.94708725 3.44904718 5.95726197
-0.00053984 0.00064139 0.00074538
18.03694245 12.32262297 1.53920364
-0.00024344 0.00098179 0.00018734
18.76232798 9.57665039 -0.14067124
0.00012368 -0.00025180 -0.00020848
-3.89904652 0.53345853 9.42492632
0.00030119 -0.00044681 0.00001819
-6.15082094 0.74086625 11.48714031
0.00014948 -0.00033587 0.00083200
-12.91557423 0.85810907 6.97929665
-0.00093299 0.00023179 -0.00038000
-14.12317176 3.66780071 7.23583410
-0.00038467 -0.00028850 -0.00051801
17.31424467 -4.65460516 7.14141071
-0.00034228 0.00049831 -0.00085731
17.06700939 -1.85555346 8.26360756
-0.00051724 0.00035403 0.00003272
-3.44595683 6.37388180 -5.80248433
0.00047523 0.00086795 0.00009689
-2.30173486 8.53842540 -4.19453272
0.00006601 0.00006512 0.00054224
-2.75104494 -2.16311792 -1.98014513
-0.00034852 0.00045405 0.00092847
-5.09316034 -0.57482343 -3.08969669
0.00004776 0.00102714 -0.00028486
5.53696495 1.37991868 -7.55142010
-0.00042947 -0.00026183 -0.00110151
8.40360574 1.26110473 -8.63724430
-0.00068788 0.00103857 -0.00031831
-15.90514234 -17.88514202 -8.28155684
0.00071681 0.00149633 -0.00151622
-13.23671401 -16.63040825 -8.22768195
-0.00024395 0.00062722 0.00045803
17.43531161 -4.95713126 -3.11112263
-0.00006141 0.00016462 0.00114219
16.20965275 -7.00960744 -1.18787419
-0.00068920 0.00001075 -0.00003422
-4.37737725 13.47822611 8.14015408
-0.00002193 -0.00021352 -0.00070552
-2.11556163 12.66365311 10.02082697
0.00109503 0.00049286 -0.00052821
18.54518210 -7.22583266 3.27696987
0.00022251 0.00011058 0.00074630
15.59806134 -7.20806584 2.72868104
0.00028937 0.00031471 0.00045858
0.17295222 0.00839146 0.05521814
-0.00070749 0.00050860 -0.00009258
1.93018115 -1.98482035 -1.36874319
0.00056105 -0.00107911 0.00029206
-7.04888758 8.28170645 -3.72898702
0.00007298 0.00007035 0.00009874
-9.93172013 7.77829318 -3.52059249
0.00002138 0.00051422 0.00020666
0.70671977 -16.30005892 -10.38742774
-0.00037936 -0.00096413 -0.00030267
-1.13459999 -16.99299704 -12.86942920
-0.00132823 0.00034590 0.00034980
3.90525851 -8.37368110 -4.45973004
-0.00036817 -0.00022001 0.00065031
2.05077220 -9.96484086 -5.74009743
-0.00008693 -0.00090870 0.00073420
0.42759665 4.36759766 0.20495392
0.00008984 0.00013547 0.00054595
2.14098170 6.60394733 1.12014494
-0.00002939 0.00039228 -0.00017443
-11.03919743 -2.64444231 0.63358513
0.00042755 -0.00007809 0.00021797
-14.29450876 -2.50399245 0.93949836
-0.00028847 0.00054286 -0.00006916
-5.84764558 -2.63102225 1.53367196
0.00011936 -0.00029528 -0.00000350
-7.58450890 -2.83650591 3.95194438
-0.00028429 0.00058318 0.00089797
13.78576447 3.69441303 -5.25305100
-0.00016793 -0.00044499 -0.00066029
12.28660273 3.33486803 -2.75096183
0.00023649 -0.00016390 -0.00016701
11.51342783 -6.35514843 11.33755420
-0.00034165 -0.00038803 0.00024314
13.05513831 -7.28819516 13.62573057
0.00000888 -0.00039102 0.00107891
-6.34334678 7.40359258 -11.96950066
0.00034173 0.00054009 0.00035917
-7.87568426 9.38331753 -10.51026593
0.00052807 -0.00017924 0.00049349
5.40297911 10.74840620 -20.29687088
0.00040574 -0.00054555 0.00009666
2.57601881 11.37225150 -20.75186332
0.00018180 0.00068811 -0.00010417
-9.19826744 -8.64340001 -14.08263921
0.00004085 -0.00077043 0.00053227
-8.67889534 -10.20123670 -16.70481885
-0.00015039 0.00026391 0.00025926
0.33913475 -11.99355240 -2.66586791
-0.00089921 0.00056768 -0.00092078
2.22232371 -13.30182826 -4.19752570
-0.00017652 -0.00178529 -0.00073336
-12.44265706 -0.71452700 12.05752548
0.00051034 -0.00025492 -0.00060819
-10.75843540 -0.52676188 14.70978009
0.00046206 0.00009901 0.00132398
3.73494724 7.80612966 5.98014336
-0.00032403 0.00090533 0.00053450
2.27442842 6.40718670 8.29431458
0.00007745 0.00019188 0.00024841
-10.37753850 3.60615852 4.93790265
-0.00033503 0.00018669 -0.00013842
-8.00008770 2.52238518 6.39031303
0.00025041 0.00003038 0.00105909
8.22719366 4.38854355 -1.24808657
0.00019578 -0.00039350 0.00001153
9.99465318 6.96429771 -0.70572925
-0.00001225 -0.00009771 0.00045311
10.29068656 -2.93442068 -3.57718714
0.00019257 -0.00020382 -0.00069970
9.04157378 -2.90006440 -6.42551239
0.00077150 -0.00058959 0.00028227
-1.30656868 3.40893149 -9.95047802
-0.00022301 -0.00023612 0.00120402
-0.54122423 0.60447535 -9.36877164
-0.00040070 0.00078258 0.00004539
-2.19839480 9.58257327 7.53061016
-0.00003762 -0.00006769 -0.00037021
-2.52508186 7.04372394 6.62653425
0.00072895 -0.00030185 0.00116526
-7.36815990 12.37257436 -7.95310021
-0.00006906 0.00072548 0.00010206
-5.17235606 10.30688273 -7.26542253
-0.00084150 0.00040019 0.00017468
-14.35783840 11.74564261 1.03990588
0.00056800 0.00014886 -0.00038865
-14.58798519 13.93353809 3.01714042
-0.00019866 -0.00020693 -0.00056904
6.89895220 14.72299817 -0.48382910
-0.00028107 0.00008398 0.00086868
6.80771804 17.30938075 -2.05201558
0.00036561 0.00036992 0.00002632
1.47178840 -5.60408962 -6.89487342
-0.00008256 -0.00100715 -0.00063555
-0.75415348 -3.81785088 -6.25909112
-0.00019486 -0.00054284 -0.00021715
-16.57742566 -12.09809904 8.55601009
0.00025192 0.00038274 -0.00073735
-14.47202631 -14.01596893 9.89313305
-0.00005404 -0.00147003 0.00052594
-10.76658194 -20.46168974 14.32147079
0.00077157 -0.00040753 0.00012209
-9.01664434 -17.93004006 13.65525129
0.00094000 0.00091282 0.00036381
12.60821284 -10.22262531 -5.53814135
-0.00011202 0.00024096 0.00189425
14.78246225 -8.51493714 -5.58670840
-0.00025491 -0.00014170 -0.00104318
3.33162000 21.49866657 18.04921507
-0.00061550 0.00007781 -0.00068100
6.18528388 21.61048576 19.03444439
-0.00099211 0.00000082 -0.00072097
8.15239965 5.00362773 -12.37097659
0.00004304 0.00028627 0.00064631
7.07084616 6.22398003 -14.65334598
0.00012285 -0.00056815 -0.00041092
8.43623149 -9.12201038 9.53552271
0.00019369 -0.00021799 -0.00007160
6.88325341 -6.55919413 9.06795563
-0.00021364 -0.00018909 0.00043765
-2.97548608 2.77909445 -0.43677070
0.00011613 -0.00038403 -0.00013115
-2.80077097 3.99333886 2.30231523
-0.00036724 -0.00003777 0.00065214
-11.43855371 -14.27606630 3.17465143
-0.00042106 -0.00076442 0.00050808
-10.63224974 -14.08337738 0.35043567
0.00072407 -0.00084227 0.00064466
0.57498656 15.20583451 1.38048586
0.00012838 0.00073987 -0.00032904
-1.40866837 12.57724581 1.25328584
0.00058745 0.00043490 0.00041546
-19.24559273 9.87728820 13.59898658
0.00021861 -0.00015723 0.00043589
-20.16116158 10.54120766 10.92647138
0.00003970 0.00036812 -0.00057821
3.56464748 -5.22959001 5.89855636
-0.00085226 -0.00052898 0.00063277
3.66487050 -4.00226042 8.71634010
0.00015654 -0.00009847 -0.00035683
8.33039608 16.89360363 -10.08666456
-0.00067104 0.00102155 -0.00028877
5.55795424 16.39031919 -8.46742614
0.00019445 0.00057547 0.00011880
-6.38747116 -5.35909780 -10.83204092
0.00032094 0.00024396 0.00044153
-4.23079894 -6.38578827 -9.20415999
-0.00037719 0.00016302 0.00015076
11.99394867 -7.24113647 5.25341147
0.00051055 -0.00008435 -0.00000855
11.35879512 -6.10806418 2.39101121
0.00076111 0.00005528 0.00049917
10.22677777 -3.65890933 8.05793849
0.00024278 -0.00029749 -0.00104693
12.89754327 -2.70468006 8.07449922
0.00043614 -0.00068504 0.00003632
5.95779776 -14.98402022 20.97677586
0.00075739 -0.00072145 -0.00018151
7.26745305 -14.55837136 18.61387758
-0.00079987 -0.00056249 0.00002864
5.46065838 23.12590016 -11.26273981
0.00031323 -0.00035872 -0.00086714
5.51060105 20.07016413 -10.90836983
0.00069089 -0.00092549 0.00039853
1.51875698 -4.31639160 1.84617141
-0.00055142 0.00171564 0.00094029
3.92355592 -6.25903068 1.53005046
-0.00068369 0.00023483 0.00121871
3.97009678 3.41915749 -0.52012949
-0.00051640 -0.00101691 -0.00031179
5.51533040 1.19481635 -2.52936003
-0.00022518 0.00071823 -0.00030430
-4.23684923 8.32447715 3.34390390
0.00008195 -0.00019290 -0.00030413
-5.91594210 5.65708591 4.20051819
0.00024755 0.00009382 0.00030537
-9.47431470 -14.90100549 -16.31430100
-0.00000133 0.00014952 -0.00024586
-11.80694041 -12.80878304 -16.55723743
0.00110473 0.00046665 0.00036116
2.73959598 -10.57574699 7.02796048
-0.00071196 0.00044223 -0.00043224
3.87766871 -8.69277010 8.61348235
-0.00017803 -0.00068857 -0.00078928
0.48945619 12.44782113 -9.57168497
0.00000821 0.00079529 -0.00027823
-2.25203487 11.89666791 -9.43329092
-0.00089400 0.00074383 -0.00044539
-8.48470456 -0.62756764 -5.82010584
-0.00041620 0.00070221 -0.00038943
-7.20413559 -2.63376293 -7.65815980
0.00144945 0.00046957 0.00034573
0.29090891 -1.17059146 9.28842152
-0.00076829 0.00016299 -0.00038646
-0.11692776 0.65526628 7.15415722
-0.00056536 0.00085750 0.00008558
19.82230206 1.79025648 -6.58987006
-0.00085184 0.00096572 0.00129099
17.66574873 2.89654920 -4.74614462
-0.00023400 0.00112450 0.00101390
-15.35695853 0.13501454 3.07138680
0.00071358 0.00114013 -0.00079137
-17.37277222 0.15832663 0.88537389
0.00000324 -0.00117352 0.00017463