First atomset in PBE400 file s0005/md032.r
20.88138460 -13.07354107 4.27676586
0.00007103 -0.00003507 0.00029882
8.54134574 0.41449175 3.54710166
0.00037003 0.00018868 -0.00031321
1.56784038 -11.11546434 -12.24974882
-0.00023948 -0.00016180 0.00000775
6.81571668 5.71313345 -2.54465140
-0.00006608 0.00010057 0.00011498
-0.04366115 8.42090329 0.02721159
0.00013040 0.00036653 0.00044198
17.28957367 2.89587918 4.20579674
0.00016576 0.00010758 0.00029306
-2.49395884 -3.21232587 -9.54183046
-0.00026107 0.00020039 -0.00002099
-10.93223264 0.35090759 -5.12362833
-0.00012443 -0.00026838 0.00017288
6.52385167 4.71055952 -16.21972970
0.00002111 -0.00016225 0.00014237
-5.62127648 -2.32443984 -5.51298893
-0.00031462 0.00000983 -0.00017843
-11.02515429 -4.27565930 -7.18102787
-0.00002702 -0.00017422 -0.00044002
9.14038509 -17.70815338 -9.71718237
-0.00009765 0.00003548 0.00032741
-3.43425987 6.12859121 17.74886670
-0.00001928 -0.00019737 -0.00014315
-9.72503336 -1.24349757 9.68195912
-0.00004840 0.00009834 -0.00020674
-17.82928384 -1.27691261 -12.71759595
0.00000128 0.00038481 0.00006966
-2.69124022 1.92542917 0.84807677
0.00015934 0.00007400 0.00014183
-2.96741237 6.85983674 8.45590211
0.00011985 0.00011528 -0.00031452
16.66416280 10.08860721 8.77768337
-0.00048849 0.00013711 0.00030381
3.01586167 10.75424945 16.32330619
-0.00014842 -0.00009726 0.00004427
-11.17673373 -20.89571120 -0.35647975
-0.00014903 0.00026243 -0.00010168
-1.08777421 -10.47529901 -2.38187478
0.00024642 -0.00009730 0.00030508
8.25114237 1.04340162 -8.10162152
-0.00027402 -0.00037621 0.00014405
-4.70617253 -2.90941696 -0.50569769
0.00027244 0.00004003 0.00021919
5.68998441 16.61336140 16.46532368
0.00010854 -0.00009453 -0.00001196
0.41911468 18.82183543 0.89180564
0.00003492 -0.00034751 -0.00005972
1.67794072 1.84331421 -14.28887803
0.00020991 0.00004506 -0.00011324
13.96657329 -1.59179190 4.40874730
-0.00013393 -0.00030057 -0.00002762
3.33441780 8.95580453 6.18979731
0.00004335 -0.00027155 -0.00045258
-6.26138073 12.27341306 -9.90285715
-0.00026392 0.00041334 0.00034208
-3.21218776 1.59030214 8.26636115
-0.00026028 0.00010781 -0.00021487
8.80675791 17.83161085 21.01354228
-0.00005559 0.00017109 0.00019945
-12.17857464 -5.92166639 -12.79355173
0.00020700 0.00022388 0.00025520
10.31841934 -10.99665859 3.86076528
0.00007833 -0.00005870 0.00003257
-12.03803614 -15.06304933 -3.88495931
-0.00037516 -0.00014318 -0.00014818
-7.51051131 -5.93386536 2.55927769
0.00018405 -0.00005134 -0.00006156
3.50917248 15.56593578 -1.89673237
0.00010778 -0.00013610 -0.00004036
-2.85283389 14.80732032 11.37154526
-0.00001455 -0.00014412 0.00016257
-12.35999883 3.18778295 -13.58336857
0.00011308 -0.00036055 0.00004472
-12.47473843 7.48848250 3.48200906
0.00027708 0.00021429 0.00019787
4.98188359 9.01839777 0.71092650
0.00017809 0.00008461 -0.00041048
8.55554643 12.36774798 -1.53070049
-0.00012741 -0.00019697 -0.00017909
14.44919257 6.03794547 7.29128020
0.00035663 0.00028787 -0.00002562
-23.38856688 3.78244787 -3.31052845
-0.00027411 0.00034991 -0.00017236
-5.89862733 0.48203934 12.37446678
-0.00002704 0.00010916 -0.00007411
-5.60124403 -9.03733808 -1.11880320
-0.00004554 -0.00014002 0.00019457
-4.31452220 -8.15322693 -17.20812705
0.00008092 0.00013637 0.00035396
12.15530196 -13.45050266 -8.58106593
-0.00007904 -0.00003334 -0.00014544
1.77158790 0.36776680 3.53197541
-0.00008622 -0.00000047 -0.00006178
-8.04517501 6.59518133 -2.09468794
0.00024705 -0.00020087 0.00020044
3.54284051 -23.17235425 -5.35293366
-0.00033377 -0.00007681 -0.00008933
-2.54632028 10.70454120 -6.88522025
0.00028190 0.00000446 -0.00026612
4.55798269 6.13660889 14.88682443
0.00007233 0.00010668 0.00013728
6.11849638 -1.27214484 -0.95723337
-0.00030213 -0.00008517 -0.00012007
2.25853328 -3.76926153 -8.52694041
-0.00006627 0.00007158 0.00009267
4.44090161 14.34093784 3.97919711
0.00010076 0.00023886 -0.00019163
1.02827382 17.87654892 6.08425101
0.00010505 0.00003476 -0.00015691
-7.61558818 -7.49127441 17.36778326
-0.00003219 0.00001579 0.00028042
-14.22159513 13.58694840 12.90913601
-0.00004576 -0.00028390 -0.00003953
13.99555637 -9.20625657 8.00315163
0.00041562 -0.00009366 -0.00008031
0.05897395 5.42761484 -10.98881665
0.00005325 0.00000863 0.00005037
16.23322026 -19.17107838 15.27660915
0.00024895 -0.00008109 0.00029846
-6.10101012 -13.85946938 1.26521414
0.00014678 0.00009614 0.00006612
7.89563464 -4.77449846 7.24316980
-0.00016177 -0.00020759 -0.00015185
7.75851671 -13.07367824 -14.10394477
0.00020827 0.00005851 0.00005762
21.83296172 -13.33328163 2.68434865
0.00032316 -0.00016815 -0.00019450
20.99383918 -14.77427497 4.99063169
-0.00021187 0.00072906 -0.00064916
7.53967875 1.16027151 4.95029129
0.00021219 0.00005721 0.00036812
9.91020277 -0.39066570 4.60465616
0.00047864 0.00001866 0.00010751
2.07552402 -12.03426057 -10.73776105
-0.00067002 0.00046120 0.00013062
2.11987919 -12.24942139 -13.62119616
-0.00037555 0.00020361 0.00040709
5.36365105 5.64688379 -3.60022402
-0.00056972 -0.00049458 0.00101019
8.33241485 6.57687499 -3.22873859
-0.00063286 0.00141170 -0.00030955
-0.45644593 6.77254455 -0.65824258
-0.00051009 0.00074764 -0.00004688
1.87004552 8.33695296 0.56727403
0.00014624 -0.00038825 -0.00027783
16.00870093 4.19858556 4.94999758
-0.00129134 0.00055553 0.00007389
18.20049992 3.35987406 2.60217498
0.00088841 -0.00077406 -0.00077983
-0.74232631 -3.71589358 -8.86454127
-0.00056302 0.00075610 -0.00028977
-3.33049469 -3.18401996 -7.88641257
-0.00049832 -0.00067647 -0.00013974
-11.00642460 0.93621960 -3.36461841
0.00043251 0.00017388 0.00031058
-12.49441744 0.64071910 -5.91704124
0.00152676 0.00016834 -0.00055384
8.19314224 4.32448735 -15.67351542
0.00051913 0.00002088 -0.00095336
5.47225375 3.81135384 -14.76320563
0.00007318 -0.00010356 -0.00034350
-6.95693212 -1.16819268 -6.07691902
0.00012088 -0.00035122 -0.00021210
-6.13295070 -4.19342007 -5.87506424
0.00030476 0.00067628 0.00007352
-10.84660167 -2.65454094 -6.21187190
0.00009565 0.00013980 0.00033741
-11.24642835 -3.83242258 -9.07219973
-0.00015117 -0.00097306 -0.00059049
10.57112069 -16.47416287 -9.06385992
-0.00046602 0.00074030 -0.00082339
7.42992681 -17.09746904 -9.23372620
-0.00027687 -0.00124894 0.00039839
-2.02266108 5.10196682 18.32031900
0.00060530 -0.00068467 -0.00004143
-4.77264230 5.18998061 16.93258806
-0.00013162 0.00017551 0.00005561
-9.75522135 -1.25755155 7.78592699
0.00007898 -0.00059743 -0.00003235
-10.25977680 -2.91080132 10.13115946
0.00035661 0.00064685 0.00001942
-19.51487940 -0.37265526 -13.18012800
-0.00008265 -0.00035728 -0.00044978
-17.06915493 -0.30668714 -11.48345458
-0.00028140 -0.00098009 0.00072653
-3.45858446 0.40280451 0.28519565
-0.00062430 -0.00126332 -0.00057813
-1.05226034 1.50806210 1.56049625
0.00101734 -0.00118957 0.00061692
-3.70740744 5.13464827 8.38414872
0.00034309 0.00151117 0.00114436
-4.29194581 8.24726034 8.75049887
0.00027471 -0.00042836 -0.00010566
16.40306456 10.32201478 10.60629835
0.00112928 -0.00019161 -0.00042203
15.44318148 8.68294595 8.33910032
0.00033215 -0.00009480 -0.00109260
3.69581142 12.20462077 17.15689974
-0.00019714 0.00079547 -0.00034132
1.15384597 11.03752602 16.59037694
-0.00093818 -0.00030749 -0.00043415
-12.58871094 -21.31613755 0.78279585
0.00000234 -0.00035309 -0.00018496
-11.39092604 -19.06126811 -0.63514609
0.00016690 -0.00023294 0.00019719
0.45001887 -9.27877785 -2.24638868
0.00023015 -0.00048177 -0.00083057
-0.44032869 -12.10545645 -1.62323657
-0.00089833 0.00004195 -0.00034819
8.61989121 2.97371944 -8.19237010
-0.00083867 -0.00045049 0.00008448
6.64941748 1.17190519 -7.03013437
0.00043945 0.00012497 -0.00031219
-5.68958385 -4.00492300 0.70522617
-0.00033355 -0.00144005 0.00000669
-5.72167269 -2.68638195 -2.09097901
0.00030282 0.00023266 -0.00033508
6.29825219 15.33249752 15.32963144
0.00004644 -0.00045828 -0.00027241
7.00823087 17.23515599 17.62282992
-0.00069817 0.00081402 -0.00006219
-1.45742997 19.11591016 0.19526673
0.00009815 -0.00000542 0.00044290
0.15567181 18.51902746 2.71039251
0.00084119 -0.00043241 -0.00047391
-0.08649205 1.69865911 -14.93244922
-0.00043208 0.00052563 -0.00022968
1.44107680 2.74573074 -12.68063723
0.00084916 -0.00009723 -0.00058160
15.00423804 -0.10590351 4.03628182
-0.00020975 0.00065313 0.00059207
14.51470041 -3.03091875 3.23238246
-0.00051554 0.00013173 -0.00003405
4.13452785 7.31251254 5.98348113
-0.00056124 -0.00010954 -0.00012637
3.61683162 9.87943040 4.58686790
-0.00079780 -0.00094717 -0.00031323
-4.94237926 11.47326128 -8.63112230
-0.00072008 0.00128318 -0.00017038
-5.25499176 13.33086970 -11.02010976
-0.00040958 -0.00027553 0.00067870
-4.53818797 1.46726346 9.73056165
-0.00129839 -0.00015844 0.00108529
-4.27010889 1.62012541 6.81971891
0.00042330 0.00023565 -0.00012771
10.22509377 18.67077293 20.02963592
-0.00002773 0.00048772 -0.00074680
8.20158532 19.08397473 22.17029068
-0.00075954 0.00105371 -0.00076889
-11.08465272 -7.42804296 -13.14399678
-0.00052057 -0.00074311 -0.00021303
-13.18150396 -5.61415658 -14.31838596
-0.00067615 -0.00004653 -0.00084150
11.53645915 -9.87088699 4.62782427
-0.00070385 0.00095315 0.00026329
10.03504117 -10.86176846 2.03213304
-0.00123123 0.00062110 -0.00036753
-10.23349738 -15.49041291 -3.16489105
-0.00001514 0.00038952 0.00057836
-12.18692385 -14.85067663 -5.66879792
-0.00030084 -0.00040396 0.00004229
-7.10386981 -7.45269246 1.51289639
0.00036527 -0.00117554 0.00019288
-6.38743799 -6.35628179 4.00614700
0.00107227 -0.00114418 0.00005701
2.42112366 17.16334546 -1.88006539
0.00066427 0.00052882 -0.00095836
4.88149670 15.62224945 -3.12744996
0.00130018 -0.00018466 0.00133428
-1.12182733 14.04681206 11.15544918
0.00047256 0.00047308 0.00052261
-2.61642392 16.65221953 12.06047373
0.00015458 0.00045317 0.00009745
-11.60502132 1.46820085 -13.15818242
-0.00025284 0.00121361 0.00007140
-13.06292187 3.81510559 -11.99547948
0.00039991 -0.00065326 0.00011831
-13.75189191 6.36236050 4.08452389
-0.00000478 0.00064214 0.00046314
-12.87132470 9.31255790 3.85601961
0.00044883 -0.00094817 0.00019628
5.88787604 10.58539281 -0.02430652
-0.00051751 0.00010359 0.00103786
5.99077882 7.57114044 -0.06619761
-0.00005138 0.00019167 0.00053526
8.96102571 13.95686315 -2.34378222
0.00021459 0.00072173 -0.00122771
9.61342715 11.21300862 -2.50380652
0.00059681 0.00000915 0.00020523
13.30494090 5.09327944 8.54975902
0.00037905 -0.00047788 -0.00142097
13.22459807 6.70314976 5.91049234
0.00092867 -0.00021668 0.00079140
-22.26854849 2.41946953 -3.97274939
-0.00050343 -0.00027591 -0.00112404
-24.46898683 3.18199528 -2.07149433
-0.00091850 0.00010074 0.00037400
-7.08117328 -0.34949375 11.11099376
0.00103188 -0.00014971 -0.00049707
-4.71404501 -0.80362094 12.99937545
-0.00000743 0.00102138 -0.00012204
-3.80334176 -9.34900708 -1.47498891
-0.00051589 0.00083423 -0.00033198
-6.64800748 -9.08650458 -2.73385614
0.00012844 -0.00008834 0.00067543
-3.47909595 -9.60377906 -17.84857427
-0.00053734 0.00015354 0.00075985
-4.11330109 -7.90150031 -15.31630409
-0.00029996 0.00021067 0.00054769
13.94105780 -13.18001203 -8.70121087
-0.00059252 0.00074316 0.00094040
11.18152656 -12.08123754 -9.57889052
0.00009863 0.00080984 0.00004047
1.27078912 -1.18205002 4.49527376
0.00056447 -0.00043617 -0.00073218
2.39518806 1.44536126 4.92385853
0.00110399 0.00003692 -0.00023780
-7.53744899 6.97065414 -0.23727686
0.00015484 0.00066590 -0.00004149
-6.39343855 6.78114870 -2.99549657
-0.00077152 -0.00063258 0.00106928
4.46408418 -24.07196076 -3.85687102
0.00032225 0.00052875 -0.00002918
2.65353752 -24.33511431 -6.41099492
-0.00120103 -0.00013059 -0.00000494
-2.43821353 9.01365192 -5.99096592
0.00049220 0.00006231 -0.00044370
-2.00554655 11.97620450 -5.66386395
0.00006366 -0.00063272 -0.00008739
3.00498173 5.63842454 14.07706835
-0.00042861 0.00017190 0.00034400
4.03603988 7.74275753 15.61102034
-0.00022687 0.00063215 0.00058098
7.36812732 -0.03298560 -0.48535806
0.00064278 0.00019951 -0.00071893
5.32780240 -1.58620893 0.72095900
-0.00022103 -0.00075270 0.00028745
3.67651465 -5.03837142 -7.94961694
0.00024134 -0.00099502 0.00005257
3.11127103 -3.39585834 -10.13335668
0.00069743 -0.00069100 0.00080432
4.41647050 14.94673644 2.32006503
0.00049283 0.00020910 -0.00074642
6.12268888 13.63564264 4.12170432
-0.00103784 0.00031609 -0.00007157
2.06997696 16.36492647 6.06083169
0.00103711 -0.00023069 0.00033339
-0.49819545 17.41320776 6.95135726
-0.00009104 0.00039562 -0.00064993
-9.32734930 -6.64180393 17.38728774
0.00017164 -0.00031249 -0.00089176
-7.60036300 -8.33668748 15.61008094
-0.00020509 -0.00054974 0.00034438
-15.07312449 12.32516477 11.66144430
-0.00107945 -0.00017593 -0.00107072
-13.71231994 15.09361259 12.01086881
0.00074921 0.00081584 -0.00057207
15.12718512 -7.98038810 7.08913423
0.00078836 -0.00016732 -0.00021898
15.03298166 -10.70797911 8.27228186
0.00021560 -0.00096082 -0.00030373
-1.32757033 5.41389630 -9.67430514
-0.00009763 0.00034183 -0.00051176
-0.75690393 6.15799380 -12.54443496
0.00082517 -0.00039494 0.00025114
16.57188671 -20.60007631 14.10609873
-0.00118631 -0.00014349 0.00011560
15.09756009 -19.68220228 16.63759970
-0.00083401 0.00013060 -0.00055017
-4.90156744 -13.59272165 2.62819636
-0.00048142 -0.00045391 -0.00021966
-5.69428077 -12.49008814 -0.08823839
-0.00038705 0.00041025 -0.00025737
6.92566628 -3.37536628 8.04615305
0.00009414 0.00087191 0.00070378
6.60844045 -6.00803330 6.49511548
-0.00048899 0.00044244 0.00010561
6.17684475 -13.40177274 -15.10518451
-0.00053122 -0.00031768 -0.00028928
8.45984959 -14.65947968 -13.55701370
0.00054902 -0.00095221 -0.00015757