First atomset in PBE400 file s0023/md010.r
3.69741184 -0.40174843 12.89741021
-0.00015115 -0.00036126 0.00016346
-5.29318198 0.46927080 5.49784660
0.00012651 0.00002327 -0.00005680
9.97049063 8.74272847 13.15436135
-0.00003563 0.00020829 0.00006923
-1.07775971 -3.89301792 -10.42428304
0.00025775 0.00033349 0.00014782
3.04687959 12.33155064 -19.36965463
-0.00013848 -0.00017116 0.00008571
-2.51253218 -10.12927159 18.19574690
0.00002879 -0.00012223 -0.00023625
2.30274682 8.84331037 -13.11786601
0.00004834 0.00005517 0.00011847
9.88713509 15.74094198 -3.29185625
0.00028661 0.00033802 0.00001894
6.05447657 -16.34265253 -16.14898580
-0.00031847 -0.00068075 0.00031329
4.05610340 3.05135279 -6.84158462
-0.00030911 0.00013374 0.00034874
-7.04080234 -2.02986466 -9.34605895
0.00009995 -0.00034811 0.00037596
9.02125803 -1.84344899 -20.04296427
0.00019416 0.00025369 -0.00006507
-10.97142177 -11.99125137 -7.30257434
-0.00016944 -0.00008990 -0.00008299
8.57575142 0.10566083 12.31868618
0.00033923 -0.00040170 0.00020867
-6.87908085 -3.43079722 0.26193517
0.00018887 -0.00030031 -0.00023838
-12.87877990 9.48757671 25.79492473
-0.00007824 0.00006844 0.00005874
-4.89449324 -16.96191997 2.75362326
-0.00011448 -0.00015086 -0.00000836
-18.63990854 -3.96492484 -6.05603715
-0.00065457 0.00013915 0.00014843
-6.58717404 -4.24373678 -14.44452797
-0.00018629 0.00017079 0.00003822
-3.61034432 15.86587942 1.50222473
0.00004076 0.00015389 -0.00004444
0.68859114 -9.66387568 13.56401073
-0.00021749 0.00003449 0.00003297
-11.86664814 -4.19369430 -11.11205640
-0.00000135 0.00000688 0.00055196
-2.75663962 11.37074384 -15.04059477
0.00014108 -0.00010378 -0.00027223
-10.54115429 3.38966356 0.92582559
0.00023002 0.00015971 0.00009424
7.52842653 -10.76288279 -17.21666360
0.00002547 -0.00031575 -0.00003745
4.54754272 19.87421511 -0.35730608
0.00001128 0.00005275 -0.00019965
1.39313286 0.33259687 8.44839238
0.00046982 0.00035731 -0.00015406
-0.64547550 -0.60275152 0.48193682
-0.00011475 -0.00026645 -0.00012782
-2.44201522 7.35780111 -5.46063569
-0.00027614 0.00015697 -0.00014947
16.37123736 3.60759729 -3.29207256
0.00017026 0.00003297 0.00000274
-0.72671297 -19.53589634 5.64134921
-0.00030152 0.00037668 -0.00000715
-2.64622629 2.41466467 -11.30379220
0.00039347 0.00029925 -0.00022322
-7.54794198 9.07653396 6.31191640
-0.00023107 -0.00032215 0.00014129
9.26822457 4.53699231 15.82803743
-0.00025009 -0.00036041 -0.00004100
-7.52182314 -13.89184204 -3.07526738
-0.00005663 -0.00024808 0.00015887
13.44997462 -1.76728304 5.47286400
0.00000414 0.00003817 0.00034683
6.04556229 1.90682913 -17.32197100
0.00003162 0.00004370 -0.00006817
-6.04850604 4.20765271 8.79429782
0.00050844 0.00004800 -0.00028649
13.98546355 -10.16034096 1.93175471
-0.00009591 -0.00037621 -0.00014630
0.15582823 1.74099392 -4.32557084
0.00003119 -0.00004559 -0.00028813
2.56263180 -8.32223726 8.11634999
0.00001165 0.00000736 -0.00033311
-2.34346195 -12.41815160 24.04376681
-0.00033108 0.00010957 -0.00014943
-15.12639927 -0.71576310 -4.27522395
0.00021763 0.00027352 -0.00041427
-15.25203652 -13.51740052 -2.65602827
-0.00030234 0.00001868 -0.00016008
-20.03474035 9.96959370 -5.41893174
-0.00005429 0.00021781 -0.00025694
-11.74186633 -6.69775421 7.58065099
0.00018148 0.00000401 0.00005363
-0.29864014 -5.54181254 -3.41107345
0.00026026 0.00046024 0.00023355
-2.00803329 17.79008892 6.43847909
0.00023022 0.00014677 -0.00012567
-13.84025870 -7.56301537 2.81128806
0.00007237 0.00023837 -0.00024093
6.71143097 -10.96405020 -12.47890407
-0.00006681 -0.00002619 0.00017610
12.26148411 2.12211321 8.67637571
-0.00016382 0.00001987 0.00006122
4.25837077 -3.26733250 6.51167457
-0.00026619 -0.00011475 0.00009137
8.74286699 -7.55795790 -8.86701348
0.00020473 -0.00033270 0.00018510
16.37554731 14.51103724 6.45098773
0.00002120 0.00024343 0.00017386
-8.35528164 3.78233440 -8.90489402
0.00037409 -0.00018674 0.00005291
-5.97537335 -1.17633152 -4.21581874
0.00000505 -0.00013792 0.00003651
-6.11790529 -12.52797114 -10.91235281
0.00017599 0.00018184 -0.00015670
-8.68122069 15.25404878 13.78192692
0.00000054 0.00029978 0.00065152
1.37644892 6.73856736 0.75634882
-0.00058850 0.00018668 0.00015932
0.70904768 6.18544296 -9.34177871
-0.00001344 0.00033107 -0.00014719
11.73535755 -16.53383649 8.49438462
-0.00033716 -0.00030270 0.00053169
-7.50696890 -7.46764083 19.76569202
-0.00029217 0.00033947 -0.00014685
-19.50558754 -8.65876498 -2.08695406
-0.00020037 -0.00016852 -0.00009660
7.08634550 4.14942147 -1.26317685
-0.00000073 0.00011105 0.00025024
3.22885729 -2.13693963 13.30755903
0.00097277 -0.00056193 -0.00020000
2.99059649 0.19027576 11.21504533
-0.00090449 -0.00060348 0.00102423
-6.66037134 -0.61251952 5.08129362
0.00041140 -0.00009315 0.00041662
-6.16652043 1.82414449 6.54459796
0.00081595 -0.00001691 0.00044571
11.28322569 9.52375475 14.32586300
-0.00057903 0.00029352 -0.00046952
10.79570103 8.26838713 11.62873147
-0.00093400 -0.00005136 -0.00113016
-1.80530677 -5.52633452 -9.82220770
0.00005553 -0.00062001 -0.00024940
-1.84812306 -3.57327357 -12.08295080
0.00093836 0.00026448 -0.00081544
4.66929591 12.02511300 -18.38911080
-0.00096871 0.00028984 -0.00022794
2.32703988 10.60427306 -19.17789211
0.00069281 -0.00010756 0.00110044
-3.94842648 -8.82459984 18.55863180
-0.00015623 -0.00008746 0.00074193
-3.29917770 -11.74949659 17.71534333
-0.00114463 0.00070830 -0.00057544
3.50101113 8.00987213 -14.34414626
0.00119162 0.00041432 -0.00109390
3.46630289 9.98172775 -12.21337629
0.00091160 0.00073609 0.00042238
9.64754164 14.12132341 -4.10618649
-0.00026401 -0.00059289 -0.00035625
10.67688506 15.62349791 -1.67966879
-0.00026033 0.00003979 -0.00020248
7.74889931 -16.12261302 -15.41838727
0.00023941 0.00049308 -0.00067425
5.83263788 -18.18653669 -16.04697727
0.00003019 -0.00066806 -0.00040460
4.08879004 1.42896970 -7.72714961
-0.00058538 0.00015975 -0.00009041
2.75773705 2.86001323 -5.65501018
0.00048271 0.00056625 0.00047927
-6.89224595 -1.54579286 -7.54230297
-0.00042170 0.00008220 -0.00026268
-8.35156419 -3.23517335 -9.29371186
-0.00046189 0.00056981 0.00039180
8.50463047 -3.68907493 -19.64006852
-0.00035305 -0.00020983 0.00021671
7.51192545 -0.87823963 -19.45747480
0.00025457 -0.00053718 0.00060238
-10.11812185 -12.64270418 -5.71069266
0.00001267 -0.00032994 -0.00072460
-10.49801255 -10.09814802 -7.66941678
0.00005929 0.00094198 -0.00065623
6.71059711 -0.20230271 12.45078628
0.00137543 -0.00043061 -0.00093286
9.10910455 1.24467256 13.56815300
-0.00044628 -0.00190650 -0.00016001
-7.01519151 -2.45364953 1.88032295
0.00059448 -0.00012216 -0.00033998
-6.10272988 -5.18527759 0.53913825
-0.00005106 0.00029960 -0.00041444
-12.43897408 7.70742377 25.81985789
0.00006622 0.00093012 -0.00110191
-13.93621330 9.56783270 24.23992000
0.00024074 0.00085090 -0.00091832
-4.11763753 -15.37978580 2.01580937
0.00056253 -0.00009136 0.00062077
-5.72044142 -17.48201986 1.28128580
0.00015740 0.00000640 0.00019720
-19.81121721 -3.29493207 -4.87912394
-0.00004324 -0.00027519 0.00021360
-17.08769574 -3.06231757 -5.40851854
0.00085589 0.00052565 -0.00068697
-5.45931899 -2.73122324 -14.85653405
-0.00039863 0.00053807 -0.00057518
-7.61319928 -3.82233089 -12.86598723
0.00005982 -0.00028146 0.00025955
-2.73494333 15.99136283 -0.07416114
-0.00118607 0.00019531 -0.00069584
-2.56931366 16.42415207 2.83128917
-0.00038121 0.00031612 -0.00060571
2.06202905 -8.86545880 14.37233899
0.00068873 -0.00027984 -0.00053263
-0.92672078 -9.51481363 14.41636788
-0.00042723 0.00071847 -0.00097587
-13.17949514 -2.85654722 -10.81789086
-0.00012327 -0.00008459 -0.00042796
-11.98763161 -4.59792866 -12.99111817
-0.00024152 -0.00117690 0.00008311
-3.64325102 10.46440047 -16.40580033
0.00007842 -0.00089060 0.00031504
-1.21539545 10.33339817 -15.05824442
0.00002091 -0.00122126 0.00119801
-10.85519467 1.69062385 1.42598944
0.00014506 0.00044219 0.00016835
-9.48284246 3.30398230 -0.58558284
-0.00057231 -0.00043140 0.00001225
7.30473598 -10.88102079 -15.33236470
0.00018179 -0.00096800 -0.00068145
8.86295470 -11.99192068 -17.73766410
-0.00012938 -0.00020758 0.00052846
4.75076436 18.11054476 -0.79792787
-0.00020947 -0.00081315 0.00050434
6.12935727 20.10266832 0.47301342
-0.00087484 0.00026083 -0.00061392
0.52042266 -1.09667760 7.59175844
0.00039672 0.00016701 0.00043465
0.64449940 1.93863091 8.09324594
-0.00048405 0.00056422 -0.00034804
0.31238602 -1.99227264 1.13789879
0.00031718 -0.00055648 -0.00021361
0.21564172 0.94260827 0.99753703
0.00021429 -0.00050525 0.00040269
-2.69615580 6.22983000 -4.13261457
-0.00025921 -0.00035766 0.00019938
-1.13341892 6.46975909 -6.62750371
-0.00078246 -0.00069527 -0.00060573
16.83416183 1.76125646 -3.59184908
0.00042229 0.00033344 0.00014232
16.11940216 4.35293380 -4.99152926
-0.00057763 0.00072952 -0.00029180
-0.90806006 -18.22552147 4.40053340
-0.00025670 -0.00100589 -0.00105292
-2.43080951 -20.48136929 5.32478266
0.00038020 -0.00031419 -0.00066916
-1.46330910 3.29626522 -10.24869364
-0.00049089 0.00016560 0.00100211
-3.00970665 0.76146824 -10.58994247
-0.00145817 -0.00094358 -0.00027020
-6.63437568 8.31580999 4.82580499
0.00008722 0.00065680 -0.00122952
-7.33063633 7.44721269 7.46595979
-0.00073504 0.00003497 0.00140516
7.38006213 4.06849452 15.87430031
0.00002927 0.00042174 -0.00078891
9.33989181 5.78241354 14.46262603
0.00007980 0.00060860 0.00156136
-7.04519717 -15.66223920 -2.95999124
-0.00001347 -0.00017077 -0.00028409
-7.79925723 -13.04067855 -1.39008793
0.00009993 -0.00001936 0.00116566
13.65635024 -3.41943952 6.18355636
0.00093949 -0.00121165 -0.00089274
11.94137758 -1.70845861 4.43265440
0.00002878 -0.00074935 0.00139132
7.51499080 1.17461635 -16.71099350
0.00011911 -0.00045084 0.00089383
4.70589457 1.12735876 -16.31500578
0.00034623 -0.00039569 -0.00006734
-4.94908659 3.75880132 10.16994518
-0.00051323 -0.00101854 -0.00030966
-7.59169428 3.90945797 9.78689495
0.00063170 -0.00092520 -0.00018542
15.30799461 -9.80648026 3.24686516
0.00052140 0.00081505 0.00112039
12.85643147 -11.46757056 2.70545613
0.00077580 0.00002665 0.00117498
-0.81836403 1.18030154 -5.77263246
0.00100934 -0.00031125 0.00123290
-0.03317531 0.52496560 -2.93424823
0.00119637 -0.00131623 -0.00025697
1.92469683 -9.12428412 9.55056016
0.00048392 0.00030538 0.00124339
2.59513276 -9.60745234 6.87815419
0.00071551 0.00013336 -0.00001247
-2.70893963 -10.60193430 24.27529326
0.00040383 -0.00034461 -0.00064771
-2.07105595 -12.80795278 22.21362859
0.00059305 0.00069218 0.00008972
-15.79866571 0.64013287 -5.35489875
0.00009364 0.00044957 -0.00069368
-14.59673540 0.17854201 -2.71528686
0.00001321 -0.00096580 0.00059519
-13.91880876 -14.19716350 -3.53173134
0.00024664 -0.00067573 0.00077638
-16.70832681 -13.55843431 -3.92676430
0.00069775 -0.00055605 0.00005051
-20.89646693 11.67601541 -5.42351756
0.00016114 0.00005331 0.00039345
-20.18540508 9.11490389 -7.00714669
-0.00049451 0.00143269 -0.00025877
-10.97119978 -8.37698312 7.62019228
-0.00031376 -0.00075113 -0.00031902
-13.02005318 -7.09859368 6.17816511
0.00040144 -0.00024554 0.00001037
-0.23667908 -6.06327436 -5.22850229
-0.00029457 0.00099851 -0.00076494
1.39441784 -6.13477898 -3.06870927
0.00075337 -0.00084662 -0.00001782
-0.49149555 17.14803060 7.22443239
0.00027158 0.00059416 -0.00048112
-3.29229379 18.04621962 7.78824085
-0.00060308 -0.00007512 0.00080273
-14.79985344 -9.13257826 2.48171672
-0.00010372 0.00061006 -0.00030101
-12.01279639 -8.07605059 2.22917668
0.00061099 -0.00000919 0.00067938
7.77627709 -12.32460093 -11.78073610
0.00121781 -0.00008815 0.00075905
6.99199107 -9.64612646 -11.11753726
-0.00119913 0.00112162 0.00013249
11.41572103 1.70710346 10.22744768
-0.00056950 -0.00018990 -0.00030886
12.63610708 0.61977008 7.72515260
-0.00097169 0.00022327 0.00012660
4.19229601 -3.45768574 4.78198158
-0.00078931 -0.00035656 -0.00154983
3.78629590 -4.96326047 7.02966411
-0.00018473 0.00092915 0.00102604
7.59781888 -6.45068049 -7.82054725
0.00129286 0.00020277 0.00034510
9.89932228 -6.42905439 -9.89295378
0.00053369 -0.00033973 -0.00046508
17.59911528 13.20188874 6.31913722
0.00042381 0.00088126 -0.00020132
17.02343897 16.02935770 7.32154618
0.00061170 0.00024703 -0.00035725
-10.17068693 3.32155205 -8.53609453
0.00013437 0.00055708 -0.00048906
-7.95503286 2.18735826 -9.63550251
0.00113223 -0.00050767 0.00009446
-4.11148015 -1.79219652 -4.62267515
-0.00047446 0.00006367 -0.00013642
-6.39327838 -2.15577458 -2.66484989
-0.00034921 -0.00001406 -0.00038532
-4.97834424 -13.70104395 -10.17127917
-0.00037946 -0.00127629 -0.00090627
-5.44761513 -11.85750061 -12.48670511
0.00003747 0.00057510 -0.00080271
-7.89270524 13.51835663 13.47517821
0.00027449 -0.00024012 -0.00007265
-10.21447015 15.84285863 12.71388782
0.00062488 -0.00024890 -0.00042816
0.70227515 8.48718502 0.94158181
0.00069324 0.00016947 0.00002168
3.16622131 6.71685250 0.99923213
-0.00059048 -0.00027621 -0.00017280
2.21921068 5.23142385 -8.93102890
-0.00016969 0.00034331 -0.00024321
1.18481912 7.32224494 -10.75555747
-0.00048653 0.00076770 -0.00048233
12.81782655 -15.69414646 7.23565214
-0.00011640 0.00027171 0.00049288
11.83844305 -18.38898270 8.09737668
0.00043492 -0.00100895 -0.00047820
-9.00828788 -7.22424315 18.84787011
-0.00031248 0.00023552 0.00011836
-7.96324697 -8.90024381 20.81332998
0.00026295 -0.00060150 0.00007436
-17.81215728 -9.40839363 -2.34654729
0.00019523 -0.00034503 0.00010650
-19.88829309 -9.39575347 -0.33713721
-0.00041521 0.00020399 -0.00083849
8.47846936 5.05128763 -0.28061601
0.00047844 0.00080611 -0.00190520
6.19908747 5.51564095 -2.18430257
0.00044701 0.00065643 0.00007420