First atomset in PBE400 file s0012/md024.r
8.06117514 -10.22773876 7.66689238
0.00008181 -0.00020429 0.00005779
-8.77996893 -19.92847703 -2.81136018
-0.00025851 0.00003782 0.00036887
-19.16923955 0.12103188 11.40993820
0.00001197 -0.00011780 0.00017484
6.89491628 10.75808209 -6.31859165
0.00033410 0.00018898 -0.00013426
-6.22391867 13.44831966 -14.58958956
0.00003868 0.00014955 0.00009991
12.19668340 9.44776911 -9.15867198
0.00030049 -0.00019728 -0.00015794
3.07511887 -9.44730727 -8.00494655
0.00015981 0.00035934 -0.00014029
8.73092964 -0.75958074 -9.14932011
0.00001354 0.00060472 -0.00036286
-0.20151624 -2.13618917 -29.42357929
0.00037289 -0.00015194 0.00010430
-6.05186405 2.57712957 1.78809763
-0.00028426 0.00030750 -0.00015659
-3.70362569 -26.39118524 25.06758849
0.00006694 0.00018764 -0.00010068
-6.09486349 4.87728605 -14.49270413
0.00015799 -0.00036172 0.00000002
14.38747354 -3.45043115 -5.31751548
0.00028560 -0.00012154 -0.00013953
-13.32185721 -1.76060868 -2.35396785
0.00024088 -0.00011731 -0.00029377
-1.77417145 12.08951018 -6.47838663
-0.00002140 -0.00006438 0.00019336
11.75504491 19.56647840 7.86974841
-0.00004686 0.00007718 -0.00004933
20.94509690 1.20040900 20.75473821
0.00007203 -0.00009865 0.00006538
18.26365034 7.01456737 3.83176675
-0.00007874 -0.00004404 0.00026778
3.96337707 12.48731390 -12.76389307
-0.00015809 -0.00000791 0.00032638
-1.42422676 -8.84763017 4.37007074
-0.00002261 -0.00014942 0.00020690
1.23211467 -14.86330800 8.77784310
-0.00001155 0.00018830 -0.00016254
11.32026665 3.30351278 -7.59072526
0.00007270 -0.00045365 0.00002416
-12.04363275 7.34485941 -0.60403582
0.00034858 0.00021887 0.00006218
12.96534908 14.00201984 2.32437390
-0.00002590 -0.00025796 -0.00024360
-13.49178890 2.56241107 1.77352499
-0.00038154 0.00021295 0.00013025
-7.35576950 -8.37153928 -3.66615111
-0.00008958 -0.00033622 -0.00001024
-0.80914823 9.42055272 -19.15244501
0.00035706 -0.00018036 -0.00007757
0.93558909 2.75026131 0.62049811
-0.00023920 0.00013565 -0.00018346
-5.94017366 -3.75359020 7.85570430
0.00045493 0.00007205 0.00031117
7.15364123 5.93669689 -6.65102520
-0.00033855 0.00018213 -0.00013423
4.45247788 -3.69389344 1.42117500
0.00016178 0.00020401 0.00011567
-11.19841510 -9.56949491 11.42527719
0.00018928 0.00000681 -0.00017342
9.10924853 16.44784783 4.22996816
0.00009815 -0.00019377 0.00028652
2.27547405 7.44491452 0.25270421
-0.00047663 -0.00035274 -0.00017065
-0.21161199 7.68680945 -4.46002914
0.00009936 0.00031066 0.00031607
-8.31998637 0.95561471 5.81245703
0.00000241 0.00022416 0.00038590
7.22306996 -14.86493584 1.32458622
-0.00019817 -0.00006047 0.00003945
-25.78435172 11.18221596 -11.81019481
-0.00005822 -0.00025556 0.00008716
17.02928179 -7.09813592 -9.03868130
0.00008759 -0.00010905 -0.00010515
0.26007398 -24.03658721 4.40372932
-0.00007499 0.00006108 0.00045103
2.15785275 5.56510155 14.54245752
-0.00019009 0.00016111 -0.00020868
-17.73236941 4.05643132 8.85320039
-0.00007159 -0.00002001 -0.00021768
6.71374809 -6.48292029 17.39665547
-0.00024698 0.00032953 0.00077848
-2.46667086 -6.08434143 -3.11516378
-0.00025212 0.00012213 -0.00007500
-6.57284180 -7.17515687 4.21849976
-0.00042322 -0.00065636 -0.00020755
11.60714624 -15.92601646 8.23465929
0.00009580 -0.00003326 0.00026346
-10.95101513 10.71757083 -4.09505662
-0.00023851 -0.00000379 0.00021034
5.01214094 2.56542288 -2.48432493
-0.00046070 -0.00019066 -0.00014061
5.30168485 -1.35888096 -5.58106193
0.00003396 0.00019301 0.00020050
-5.05723041 5.73363961 -5.56276717
0.00024288 0.00038294 0.00005322
1.18884895 -7.59590071 0.51810633
-0.00012859 -0.00005805 0.00000244
-12.70908622 -5.70734806 -9.44203664
0.00016914 0.00001346 0.00000388
-2.51282563 18.60751504 -11.60705417
0.00018115 -0.00038512 0.00000519
-18.53928642 -10.58019743 -0.77084790
-0.00032409 0.00002946 -0.00024375
1.13109907 -7.32208608 -14.33177910
0.00023265 0.00049879 0.00015063
-8.02073344 5.62797237 13.59636223
0.00025268 -0.00000051 -0.00000364
4.13872481 -3.07177834 7.67675649
-0.00026667 -0.00001835 -0.00004484
9.89862407 -7.40762767 -1.33224609
-0.00016281 0.00011641 -0.00001595
-1.16792753 3.15834484 9.39476912
0.00012339 0.00010555 -0.00012937
-0.81782498 -0.18666727 12.96322851
-0.00012275 0.00008690 0.00002847
-15.91349925 8.47133789 11.60046033
-0.00025381 0.00043575 -0.00040876
-7.23237030 0.50475737 13.12713225
0.00005111 -0.00036231 -0.00064118
10.35205805 3.02275347 6.85307624
-0.00005874 -0.00009517 -0.00001561
13.58035833 9.10738762 3.88163030
0.00005705 -0.00031605 -0.00041377
6.80337385 -10.98211054 8.87504641
0.00018103 0.00043689 0.00045691
9.75544482 -9.86520407 8.54448446
0.00013476 0.00073300 -0.00239798
-8.11100466 -20.98556580 -1.45332309
0.00033260 -0.00023753 -0.00070913
-9.72621250 -18.51425820 -2.06715224
-0.00105909 -0.00046062 0.00064697
-17.60639040 -0.35164306 12.33041558
-0.00085249 -0.00066404 0.00068234
-18.70010827 1.88742234 10.37448505
-0.00010079 0.00082002 0.00054727
8.58522245 11.51435672 -5.91973240
-0.00025702 0.00029848 0.00025919
5.93805858 11.98092885 -7.35661575
-0.00006542 -0.00063085 0.00044041
-5.48047364 14.08958210 -16.19889717
-0.00036157 0.00035315 0.00048018
-4.66314901 12.50770850 -13.97126536
-0.00043020 0.00089892 -0.00030229
12.41771913 10.99755746 -10.13472218
-0.00052951 0.00009762 0.00022358
13.53789869 8.26116513 -9.58666666
0.00117367 0.00032276 -0.00025152
1.32717845 -10.03553249 -7.47471324
-0.00065798 0.00083638 -0.00061546
3.51709666 -9.89952969 -9.82524529
-0.00008822 0.00006531 0.00079839
9.82930281 -2.26710941 -9.07039512
0.00023993 0.00044455 0.00044271
10.04786988 0.66298164 -9.07224934
0.00016324 -0.00051266 0.00008469
-1.27730280 -0.96258451 -28.38134394
0.00015926 0.00070649 0.00130163
1.48470758 -1.61144877 -29.11928421
0.00125194 -0.00078807 -0.00019402
-4.95240526 1.87541122 0.56861005
-0.00019956 -0.00035855 0.00052110
-6.79517846 1.13379341 2.91146388
-0.00107497 0.00027412 -0.00016184
-4.93925564 -27.47774118 25.99499661
-0.00053170 0.00030052 0.00050805
-3.52199056 -27.26160890 23.31921814
0.00015893 0.00047762 0.00015124
-4.26804313 4.36572558 -14.40036561
0.00009703 -0.00094475 -0.00053393
-6.04735152 6.30198597 -15.53077121
0.00094263 0.00019288 0.00010307
14.87728220 -2.17014829 -6.60416049
0.00000250 -0.00005741 -0.00002182
13.09479841 -2.57709608 -4.32641822
-0.00033165 -0.00033433 -0.00110333
-15.05347347 -2.10686757 -2.79284834
0.00073688 -0.00024936 -0.00041697
-13.18616898 -0.29878155 -1.21032388
-0.00021473 -0.00064100 0.00008886
-2.53850765 13.30778056 -5.23748669
0.00054931 0.00023921 0.00012739
-1.31429464 10.56990630 -5.35504606
-0.00114531 -0.00052990 -0.00027099
11.56722925 21.31071013 8.71119541
0.00068805 -0.00016906 -0.00010831
13.56469081 19.25703424 8.09766179
-0.00139502 -0.00000789 0.00001331
20.80756778 2.62806724 19.57642999
0.00008869 0.00010375 -0.00129683
22.13820380 1.86285909 22.16949078
0.00089619 -0.00008510 -0.00069366
20.00458490 7.69885168 4.10859614
-0.00082498 -0.00052907 0.00019547
18.66429810 5.19963941 3.35237645
-0.00106345 0.00000082 0.00015099
3.11246361 10.86762936 -13.40415392
0.00042182 0.00065012 -0.00046230
2.75719035 13.73322043 -13.15199392
0.00054595 0.00023208 -0.00039799
-0.24026639 -8.41563208 2.81709499
0.00089881 -0.00022257 -0.00090364
-0.55949620 -7.99278381 5.64924404
0.00035600 -0.00013418 0.00049005
1.72079052 -16.74758552 8.63076925
0.00044131 0.00081244 -0.00067206
0.66872256 -14.52522085 6.97202599
0.00025077 0.00083089 0.00002764
11.83016438 2.78510117 -5.71431341
0.00060116 -0.00059157 0.00033630
9.93887726 4.50743134 -7.27419122
0.00078980 -0.00055941 -0.00041259
-11.09185666 7.93463283 0.93471116
0.00021461 -0.00044881 -0.00024026
-11.77494384 8.70905035 -1.93366906
-0.00010057 -0.00058837 -0.00012556
11.28725360 14.87684882 2.84824672
0.00039264 -0.00028138 -0.00059331
13.12228096 14.58719067 0.57487317
0.00046085 -0.00162296 0.00001585
-13.92297378 2.71007386 3.78396027
0.00024422 0.00096615 -0.00131414
-12.88696906 4.22291307 1.34158782
0.00032032 0.00011332 -0.00029674
-5.77232559 -7.60698341 -3.04786752
0.00012431 0.00009908 0.00078563
-8.41059015 -6.98226344 -4.32467856
-0.00105658 0.00065797 -0.00052375
-0.05147869 8.71670464 -20.67107323
0.00050194 -0.00006679 0.00094571
-0.78229354 11.24471748 -19.49713532
0.00023132 0.00001109 -0.00116957
1.50625332 4.49385017 0.95225006
-0.00009713 0.00007362 0.00003989
0.79535104 1.84222134 2.29185541
-0.00008491 0.00020301 -0.00032387
-5.54032834 -4.70108108 6.07522766
0.00061579 -0.00046623 0.00035125
-4.93777550 -4.75034193 9.11637247
-0.00047341 0.00054482 -0.00124916
5.86826409 5.35715068 -5.44986974
-0.00001698 0.00023831 -0.00026188
7.00708621 7.84882077 -6.57923642
-0.00000604 -0.00021713 0.00092511
6.29686304 -4.12287286 1.30106638
0.00052826 0.00039980 -0.00030080
4.51951367 -2.98536316 3.14845200
-0.00064138 -0.00110988 0.00120610
-9.55596729 -9.64195130 10.47728344
0.00068910 0.00011363 0.00099693
-11.18896794 -8.07271399 12.43028843
0.00008640 -0.00054383 -0.00029801
8.43729044 15.17118679 5.33886909
0.00061469 0.00122793 0.00001420
9.53494468 17.77561305 5.43790609
0.00009637 -0.00012172 0.00095087
4.13127907 7.91530413 0.19047148
0.00013082 -0.00026307 0.00073357
1.68493346 7.67873401 -1.48067204
0.00012967 -0.00037361 -0.00098576
1.07809783 7.02599658 -5.69585794
-0.00081469 0.00092093 0.00068674
-1.89281428 7.00888144 -4.84324661
-0.00043502 -0.00071810 -0.00055236
-7.33187125 2.55445178 6.49170730
-0.00031721 0.00013993 -0.00010877
-7.54499677 -0.41453705 6.93229326
0.00030344 0.00007634 -0.00006619
8.70120560 -15.71699655 0.41418385
-0.00005593 -0.00106787 0.00041798
7.43243485 -15.27200814 3.16652183
-0.00054583 0.00013518 0.00130883
-24.73241679 9.63811596 -12.01804436
0.00053597 -0.00020103 -0.00052024
-25.90510455 11.38362741 -9.87828663
0.00070307 0.00032299 -0.00056079
17.90166034 -8.44726899 -8.05121210
-0.00091385 0.00041163 -0.00081032
16.80892929 -7.72227123 -10.79928457
0.00008892 -0.00008608 -0.00066639
-0.76937587 -25.30659995 3.39416932
-0.00067883 -0.00028418 0.00115480
1.33558110 -24.95349429 5.61216543
0.00014474 -0.00011945 0.00048549
1.27965705 4.60078255 13.23591227
-0.00036061 0.00027651 0.00039323
3.39161519 4.27919077 14.98446175
-0.00042843 -0.00033899 -0.00010654
-16.33473641 3.08205456 7.91029136
-0.00000102 0.00008881 -0.00073414
-16.89277544 4.99642458 10.19765761
-0.00018432 0.00000751 -0.00019508
6.48235399 -4.58691292 17.54214801
-0.00040430 -0.00034465 -0.00026301
5.07146890 -7.27401970 16.94398352
0.00002723 -0.00020632 0.00022242
-2.26603187 -5.10834320 -4.62688561
0.00010607 0.00060727 0.00063922
-0.86386739 -6.41524880 -2.24238941
-0.00030029 0.00060002 -0.00006973
-8.13306059 -7.88041467 3.48724170
-0.00043487 -0.00089623 0.00034809
-5.11922596 -8.18161978 3.68407145
0.00026232 -0.00007429 0.00048331
10.08036488 -15.01266322 8.76580409
0.00058933 -0.00013299 0.00033377
12.48257684 -14.81700525 6.89095062
0.00051578 0.00055143 0.00062168
-9.60182602 12.02901945 -4.13248569
-0.00035185 0.00046532 -0.00103696
-10.79728235 9.83539916 -5.80656307
-0.00026135 0.00063042 0.00009703
3.46402985 2.32064524 -1.39481747
-0.00028709 0.00027801 0.00018570
6.40272542 2.54120849 -1.22546272
0.00066019 -0.00030342 0.00023691
5.72529933 0.07089474 -4.24968856
-0.00031617 0.00058832 0.00066465
6.30840819 -0.75488788 -6.95453444
0.00029814 -0.00024120 0.00075346
-5.93590171 5.75045433 -7.22178352
0.00027203 -0.00005552 -0.00131074
-6.12778682 4.51477956 -4.64670222
-0.00115963 -0.00054050 0.00017370
2.52487486 -8.89293260 -0.07082221
-0.00000931 -0.00150273 0.00005123
2.09291386 -6.14452168 0.96052283
-0.00088503 -0.00084182 0.00089212
-14.21353807 -6.34849155 -8.33130468
0.00109934 -0.00015432 -0.00022854
-11.26150752 -5.28753555 -8.31160243
0.00126086 -0.00016838 -0.00005098
-3.81441760 17.86691255 -10.30266750
-0.00141091 0.00076466 -0.00025423
-2.54181299 20.47165365 -11.68897274
-0.00059990 0.00033640 0.00035368
-17.09486179 -10.05119005 -1.70800040
0.00073476 0.00091254 0.00019398
-17.91631932 -11.84013548 0.43702576
0.00033836 0.00051708 -0.00010373
-0.12447095 -6.44453033 -13.23586434
-0.00036609 0.00006930 -0.00034480
2.41640094 -6.00071679 -14.59906119
-0.00002315 -0.00119283 -0.00030778
-9.48635681 4.28468207 13.87054459
-0.00016488 0.00048471 0.00052995
-7.21143532 5.54348275 11.82733772
0.00025699 0.00048303 -0.00036651
3.96379198 -1.70030837 9.14686263
-0.00074110 -0.00014632 -0.00026527
5.62804718 -4.16162750 7.95596665
-0.00002221 -0.00019507 0.00099492
9.36468290 -7.48276532 -3.12767939
0.00076518 0.00087150 -0.00007392
9.73112712 -5.46344312 -1.14408650
0.00045447 0.00030568 0.00016862
-1.35911706 2.02211773 10.84201297
-0.00015846 0.00031030 -0.00069198
-0.80382125 2.11413111 7.88635758
0.00031617 -0.00075850 -0.00053710
0.85145047 -0.29374254 12.18478454
0.00038895 -0.00083813 0.00083041
-0.69101443 -1.21193634 14.61864304
0.00184730 0.00010303 -0.00022540
-14.34847396 8.42054982 12.48732416
0.00011300 -0.00135652 -0.00012852
-16.80061550 10.01305303 12.04863652
-0.00074394 0.00052316 -0.00016547
-6.42216706 -1.14514310 12.81640888
0.00034209 -0.00099527 -0.00028950
-5.91743708 1.72606542 13.65236372
0.00003076 0.00077887 0.00111744
11.80965915 2.21394527 6.19022284
0.00023404 -0.00029907 -0.00043695
10.90474960 4.69335365 7.78280684
0.00036583 -0.00010155 -0.00113377
15.33169219 8.53261173 3.79724738
0.00050157 -0.00032540 -0.00012391
13.64114417 10.99591825 3.47698378
0.00010411 0.00014371 0.00029488