First atomset in PBE400 file s0014/md025.r
-0.90071806 -5.72231036 -0.73395273
-0.00016291 -0.00004036 -0.00015521
-15.94070033 -6.27353004 0.10753953
0.00009485 -0.00027075 0.00006860
-4.90789411 8.35442583 3.71813668
-0.00024711 0.00015737 -0.00006640
-10.28082556 11.87637354 22.86285076
0.00023840 -0.00016733 -0.00002204
8.90873314 -15.02835945 5.64564434
-0.00026661 -0.00020989 -0.00007155
4.33265029 -0.99385794 -24.34415951
0.00027561 0.00005651 -0.00011583
23.19434930 -4.20127126 -7.41639255
0.00040389 0.00012889 0.00013978
-7.01779212 12.74870752 8.78122830
0.00000782 0.00007591 0.00009669
7.34113138 -19.97698482 -5.94367366
-0.00007528 -0.00010165 0.00024505
-15.11435658 8.25204930 13.18270041
-0.00001265 -0.00011312 0.00011556
-9.24878444 1.83557669 15.20409054
0.00005963 0.00045233 0.00020679
-2.09550668 -6.93131847 -11.41167697
-0.00011157 0.00011148 -0.00002576
11.90116040 1.04051813 -4.22551637
0.00008436 -0.00018318 -0.00047921
-2.70286342 -0.95198285 -2.29274197
-0.00030305 -0.00030140 0.00023377
-3.43022233 1.29074781 9.67202641
-0.00009317 0.00023256 0.00015118
11.96877519 20.89986135 -19.51137599
0.00014659 0.00002825 0.00022472
14.47382119 -16.35011672 19.61936014
-0.00006880 -0.00005402 -0.00017784
7.40564017 6.58385879 -25.46883696
-0.00010151 -0.00007984 0.00004938
-22.49041125 10.87669127 17.82204511
0.00001686 -0.00000767 0.00019374
-10.16544400 6.85617384 -8.58652369
0.00027290 -0.00046139 -0.00006856
-6.60463098 20.08157508 -19.73325763
0.00010801 0.00009335 0.00016912
2.43094873 4.98794469 -1.58715926
0.00020577 0.00003291 -0.00030555
7.62019497 10.65754400 0.76184253
0.00011307 -0.00005594 -0.00033375
-8.23904409 -5.57707481 -12.15737012
0.00003961 0.00005024 0.00038604
2.86463235 -7.99843035 9.91390300
0.00025853 -0.00017754 0.00013105
9.50246979 2.84310144 10.03204729
-0.00009369 -0.00017802 0.00035999
-5.87835898 0.91411515 1.41634218
-0.00001230 0.00005095 -0.00025517
22.19785292 -11.25407528 -0.60087338
-0.00021047 0.00003511 0.00011530
19.88283723 13.06555540 4.17706733
-0.00016754 0.00032299 0.00012721
-6.11083875 -7.59457504 0.81886668
-0.00063570 0.00047804 -0.00014279
1.64239382 -18.22227537 -6.69502035
0.00001494 0.00048171 -0.00000707
-9.83306291 -23.91238835 8.91908937
0.00013343 -0.00013868 -0.00025819
-19.20679852 -6.87580910 -7.79971466
-0.00007807 0.00000441 0.00032435
-3.93564928 8.80567615 20.02471018
-0.00024235 0.00031595 -0.00005196
8.92014837 -4.73611229 -9.28471814
0.00030351 -0.00010493 -0.00022354
0.61229050 -2.80936256 3.19922851
-0.00014361 0.00001682 -0.00041433
-17.03540711 10.72481068 -6.47606644
-0.00027470 -0.00007080 -0.00029077
-0.42714997 -15.25717557 -13.51482715
-0.00014559 -0.00024127 -0.00022641
-0.59922227 2.81327090 5.66219066
-0.00015736 -0.00010172 -0.00039254
-7.19721173 -4.90118869 19.64307681
0.00005261 0.00025809 -0.00000795
6.46778799 0.29588386 13.73164728
0.00032147 0.00012486 0.00017251
21.26499933 -12.19043845 14.06030787
-0.00005460 -0.00010160 0.00001368
2.40846885 6.94323072 3.86184237
-0.00038314 -0.00023424 -0.00016332
-9.06513644 15.79328760 -7.65017770
-0.00004083 0.00014587 -0.00012870
3.79616665 -21.46789955 -14.85127097
0.00006538 0.00002900 -0.00011755
8.07601106 -7.53834452 9.72780703
0.00017558 -0.00004159 0.00011509
-9.81422832 4.51844787 0.78580250
-0.00004206 -0.00002509 0.00023691
7.59334032 -5.55048089 -18.59656122
0.00015104 -0.00031844 -0.00004457
4.03538718 6.36196859 11.92702004
-0.00006864 -0.00033025 0.00040838
31.91665823 2.34556775 0.46979461
0.00041663 0.00028430 0.00019049
-16.38761291 27.36032427 5.21630430
0.00026007 0.00034866 -0.00027155
3.67693436 -6.06025871 -2.67375648
-0.00010155 -0.00014844 0.00002919
-9.47073324 9.88407150 5.55954097
-0.00011661 0.00001322 -0.00010061
-5.32240323 5.70343316 -14.99843107
0.00021250 0.00013088 -0.00006647
4.66815853 11.66153072 7.09290919
-0.00001590 0.00000133 0.00006696
10.23794718 -12.03799378 9.85189685
-0.00026422 0.00014272 -0.00016167
-12.26425924 20.60819209 -1.28761001
-0.00015540 -0.00006642 0.00015453
-3.87598847 2.94953676 -6.62457227
0.00042500 -0.00004447 0.00019217
-19.84126481 -3.31210436 -15.92613595
0.00025237 -0.00000976 0.00015561
16.26313599 11.43263721 13.93024701
0.00009983 -0.00014626 -0.00000942
-2.48296858 5.40161311 0.23715484
-0.00022999 0.00026092 -0.00010703
1.45786307 -0.49447602 -9.79728648
0.00004871 -0.00036324 -0.00021367
-2.89791603 -5.44483461 7.32642924
-0.00001098 -0.00002231 -0.00007603
-13.07928973 -9.82398863 -5.01185443
0.00000920 -0.00009784 -0.00007306
-0.46455352 -4.73090125 0.86882160
-0.00061083 -0.00077459 -0.00057290
-1.65567225 -4.25734469 -1.88813357
0.00028981 -0.00071307 0.00030641
-17.47752043 -6.23148134 -0.87835299
-0.00005309 0.00004147 -0.00024006
-14.66714259 -5.00896503 -0.44353837
0.00038156 0.00048646 0.00046415
-4.52341677 7.44152521 5.23292547
-0.00022154 -0.00028932 0.00113309
-4.42525095 10.17613455 4.26628091
0.00058642 -0.00031458 0.00033259
-9.80267294 10.64770743 21.54774083
0.00012194 -0.00005791 -0.00057348
-8.88094139 13.07427054 23.27520104
0.00124507 0.00012079 0.00021370
7.53300845 -13.89812382 5.22321736
0.00029574 -0.00056391 -0.00052550
9.48284694 -14.50972682 7.31632550
0.00035153 0.00038646 -0.00008523
3.50755890 0.41707683 -25.33375420
-0.00105582 0.00075936 -0.00014265
3.85977639 -2.60999067 -25.24316335
-0.00069540 0.00062443 0.00128264
23.85792204 -2.59596228 -8.24955709
0.00066163 -0.00037550 0.00035422
22.62385447 -3.59770919 -5.76000302
-0.00154553 -0.00085625 0.00032830
-7.87805104 11.50997433 7.66167838
-0.00028773 -0.00045760 0.00090795
-8.27142113 14.00118542 8.90647480
0.00027598 -0.00027026 0.00046118
7.08577612 -21.54980449 -6.86912193
-0.00136929 -0.00022706 -0.00026880
9.04674570 -20.49330579 -5.18897564
0.00005583 0.00018977 0.00084358
-14.36753593 9.26515917 11.79520365
-0.00021811 0.00081052 0.00021796
-15.73682487 9.54564986 14.56944961
0.00031703 0.00074533 -0.00120876
-9.71579514 3.51485692 14.57697758
0.00028197 0.00115891 0.00092584
-7.39320281 2.06907523 15.54023320
0.00092584 -0.00012757 -0.00167731
-2.63031330 -8.71158993 -10.82950308
-0.00114195 -0.00022218 0.00073100
-1.83579349 -5.91555989 -9.89964349
-0.00079472 0.00003868 0.00019168
12.75494384 0.76122811 -5.93488634
0.00030403 -0.00029368 -0.00066926
13.01652596 2.16836431 -3.39899553
0.00014690 -0.00018947 0.00152072
-3.92657362 -0.22683270 -1.01108826
-0.00005171 0.00073192 -0.00033337
-3.10729182 0.18834902 -3.82405359
0.00123693 -0.00063758 0.00038539
-2.75465516 2.01173904 8.11335715
0.00115336 -0.00066444 0.00077342
-4.93373503 0.21450814 9.32242312
-0.00008627 -0.00046466 0.00043154
11.66198553 21.28734772 -21.27671186
-0.00018600 0.00013880 -0.00037063
10.59522212 19.79956093 -19.00861547
-0.00028820 -0.00104792 0.00008619
13.96805444 -16.88765900 17.93413369
0.00069423 -0.00063859 0.00000027
16.24249282 -15.98433191 19.66684342
-0.00103842 0.00049694 0.00000648
7.18860825 6.31274031 -27.28126271
-0.00056529 -0.00033116 -0.00039227
7.49342720 8.36289298 -24.90857619
0.00063549 -0.00023682 -0.00042744
-22.39912250 8.98650469 17.67306307
0.00013956 -0.00042368 -0.00008162
-23.15572712 11.52199885 19.52155144
-0.00023500 0.00094798 0.00018678
-11.95169366 7.39389378 -8.93497215
-0.00053475 -0.00054888 -0.00046997
-9.22181641 8.44461380 -8.89199179
-0.00030530 0.00018091 -0.00039368
-5.90640667 19.30509735 -18.26705205
0.00065515 0.00017561 -0.00030470
-8.51261724 20.17314936 -19.36394766
-0.00040519 0.00036253 0.00084438
3.90516154 5.95386352 -1.20755589
0.00052763 0.00017351 -0.00021497
1.07524189 5.57826685 -0.32868963
0.00112249 -0.00019235 -0.00021031
9.55878266 10.83953907 0.84928318
0.00142299 -0.00062762 -0.00018781
7.16563209 12.30698556 0.21047981
0.00175763 -0.00034100 0.00050490
-9.11494869 -3.99337515 -12.48010721
0.00090775 -0.00078557 0.00019926
-6.37517939 -5.37357320 -12.60248522
0.00129855 0.00067219 0.00023074
2.64749018 -6.22025876 9.36472488
-0.00043758 0.00001640 0.00043978
1.81005862 -7.96380420 11.59209897
0.00006263 0.00197671 0.00002020
8.47228277 3.63654174 8.67052686
-0.00113061 -0.00013032 0.00086965
9.20418590 3.75084457 11.52666392
0.00001238 0.00025882 0.00012458
-7.26696962 2.31731483 1.36411219
-0.00106812 -0.00029687 -0.00079954
-6.60421760 -0.39614063 2.42454673
0.00002318 -0.00094006 -0.00040092
22.17336443 -9.43231075 -0.45612954
-0.00051879 -0.00063287 -0.00031665
21.31510187 -11.42263167 1.06641309
-0.00042059 -0.00024931 0.00030411
18.94243696 14.00125222 2.98242164
-0.00070874 -0.00027473 0.00079995
20.03144641 14.05820907 5.75742245
0.00041096 0.00091119 0.00025025
-6.25407000 -7.06966436 -0.96957564
-0.00090567 0.00131426 -0.00035674
-6.17470369 -5.81931342 1.54053693
0.00062785 0.00088895 0.00016686
3.37748285 -18.95309629 -6.96800011
0.00079188 0.00000447 -0.00077515
1.93029532 -18.34196432 -4.66392664
0.00004632 0.00025285 -0.00026595
-10.64913668 -24.29460771 7.30270859
-0.00069539 0.00028661 -0.00040154
-11.05044146 -22.79429275 9.86405826
-0.00014520 0.00108973 -0.00091103
-17.71569974 -5.82047616 -7.91666896
-0.00031055 -0.00114445 -0.00015645
-20.76680787 -5.89923632 -7.76748612
0.00113687 -0.00100359 0.00000387
-3.50181578 7.57850296 21.37872078
0.00052622 -0.00010463 -0.00002152
-3.37001148 10.44433826 20.88013658
0.00021583 0.00012664 0.00070857
10.71088395 -4.57416784 -8.97851558
-0.00062224 -0.00034039 -0.00063183
8.89853129 -6.03618020 -10.54908391
0.00060411 -0.00097324 0.00068030
2.11657781 -2.15539579 2.18220757
-0.00018770 0.00039219 -0.00086417
-0.19625172 -1.18097403 3.73802211
-0.00012902 -0.00095484 0.00050393
-18.81195150 11.44336592 -6.28590867
0.00031995 -0.00059240 -0.00030135
-15.62258688 12.14152572 -6.05216925
-0.00008899 0.00103571 -0.00037671
-1.81996487 -16.42385493 -13.83003861
-0.00083996 0.00015634 0.00042684
0.99320938 -16.24074149 -12.93074327
0.00047283 -0.00014633 0.00000403
0.93905754 2.76867411 6.75401406
-0.00011700 -0.00056560 0.00050755
0.01062939 3.91409453 4.20714996
-0.00106503 0.00001080 -0.00052948
-7.53657234 -5.93538282 18.00744055
-0.00016667 0.00023823 0.00028261
-5.90572937 -3.52720950 19.26337194
0.00023082 0.00042087 0.00059773
7.23859383 1.12810267 12.36730812
0.00018139 -0.00095012 0.00004471
7.24976986 -1.41388391 13.70950840
-0.00054724 -0.00044005 -0.00038492
21.74612685 -13.52750973 12.81703449
0.00088763 0.00064920 0.00029932
22.43843259 -12.07178115 15.46316914
-0.00168335 0.00004168 0.00027819
2.02610973 7.93123412 5.43798975
0.00005682 0.00030027 -0.00052423
4.28385617 6.73919295 3.64865065
-0.00015071 -0.00050563 -0.00069293
-8.36023838 14.04376742 -8.06785639
0.00020948 0.00039798 0.00038217
-9.03403696 16.65439815 -9.32346226
0.00048972 -0.00054255 -0.00067133
5.13403907 -20.71412423 -16.10048431
0.00107420 0.00027354 -0.00077637
3.52503757 -20.34607298 -13.46068505
0.00012108 0.00111180 0.00157814
8.04346335 -7.11852668 7.83455007
-0.00016576 -0.00132680 0.00017376
6.30958635 -7.51622641 10.36745521
-0.00057296 -0.00148361 -0.00092366
-11.54747839 3.92889610 1.07509951
-0.00023389 0.00092607 0.00070488
-9.84537549 5.45322420 -0.87802059
0.00084559 0.00043277 -0.00004505
5.99303274 -4.69114406 -18.17543954
-0.00006463 0.00054156 0.00018071
7.42605762 -6.40035520 -20.22442103
-0.00076888 -0.00005023 0.00211511
5.26403506 7.61830519 12.50224184
-0.00047113 0.00075543 -0.00029119
2.90463429 6.20787530 13.37238159
-0.00045040 0.00012850 -0.00017687
30.88056172 0.87447747 0.48880763
-0.00033845 -0.00018470 0.00028007
31.27693234 3.76862100 -0.57278562
-0.00028625 -0.00044170 0.00012368
-15.83930617 29.10948586 5.33965703
-0.00107406 0.00049919 -0.00101140
-15.98060028 26.64169094 3.58745786
0.00051868 0.00024947 -0.00025912
1.86306644 -6.23908266 -2.21139717
-0.00021146 0.00090075 0.00016448
3.85593726 -6.63671025 -4.52493682
0.00053493 -0.00091504 0.00017331
-11.25942540 9.75948854 5.07169748
-0.00018822 0.00001400 -0.00033269
-8.53262211 9.00645345 4.17809786
0.00053177 0.00089019 0.00006804
-6.59992237 6.94226446 -14.61079236
0.00032362 0.00027708 -0.00091886
-5.37033863 4.62409078 -13.49062329
-0.00011327 -0.00022244 -0.00051846
4.99775120 12.39452998 5.39934576
0.00049131 0.00056183 -0.00003794
3.63611364 12.82902298 8.12996040
-0.00013923 0.00058536 0.00104759
12.01550998 -11.60622174 9.30152810
0.00001571 -0.00096860 -0.00056353
9.29889538 -10.35766317 9.44802332
0.00027602 0.00045116 0.00038892
-10.39981289 20.30222115 -1.56788831
0.00019520 0.00008516 0.00042239
-12.56661367 22.24529534 -2.28784450
-0.00052475 0.00100449 0.00056939
-2.51749531 2.94824681 -7.89863236
-0.00055903 -0.00079696 -0.00015201
-3.26829474 4.17724371 -5.40774201
0.00028586 -0.00168187 -0.00063189
-19.60699016 -1.76929459 -14.91280949
0.00065859 -0.00100242 -0.00081110
-21.16510078 -2.87435335 -17.21940120
0.00000593 0.00014230 -0.00013433
16.35017696 11.80043277 12.10862513
-0.00108658 0.00101780 0.00075915
17.97556286 10.89604339 14.22332072
-0.00007890 -0.00100143 -0.00026070
-3.19772169 3.70580912 0.27137605
-0.00026891 -0.00031182 0.00070358
-3.45487272 6.48919581 1.52542837
-0.00112132 0.00096082 -0.00059894
3.41108959 -0.33314912 -9.74921928
-0.00006188 0.00083686 0.00000169
1.03327496 -0.02100084 -11.60076253
0.00010642 0.00056181 0.00034553
-2.50597408 -5.91403890 9.17033818
0.00021429 0.00027140 -0.00022896
-1.36986461 -4.51834236 6.94070959
0.00063137 0.00140604 -0.00020373
-12.55008795 -9.60229311 -3.20881384
-0.00056982 0.00041310 0.00012421
-11.55822883 -8.87009537 -6.13424669
-0.00038310 -0.00031955 0.00051249