First atomset in PBE400 file s0030/md018.r
5.59800074 17.94189794 -8.12912155
0.00015041 0.00005990 0.00008757
4.69420392 6.87943141 6.70089558
-0.00008961 -0.00001739 -0.00002173
1.81576339 15.05398630 -10.35888557
0.00006509 -0.00023646 0.00025617
-10.15849365 -5.46115373 2.69189634
0.00003021 -0.00019778 -0.00007912
2.39998588 19.81548131 -25.45515455
0.00010344 0.00022921 0.00000614
3.30722063 -4.09988886 3.20182077
-0.00024630 0.00024990 -0.00015450
-10.98009326 7.92644605 16.24398267
-0.00014768 0.00014596 0.00002553
4.42129149 -12.89921545 10.49218069
0.00040118 0.00003793 0.00025894
-22.33071553 6.67108189 3.22253417
-0.00000867 -0.00026557 0.00014133
-12.50559388 -4.59011446 -6.03587049
-0.00029423 -0.00012942 0.00062298
-12.74960321 -3.75896403 6.95018547
0.00029438 0.00010662 0.00019608
-18.74379055 7.58201369 14.52488828
0.00011560 0.00023873 0.00011782
-4.51950268 12.74234314 -0.32610472
0.00015280 -0.00013119 0.00004086
-12.59910567 12.92516360 -7.95031105
0.00020477 0.00024489 -0.00024455
28.10031043 7.44042624 -0.18362769
0.00006101 0.00019504 -0.00014106
-26.49666832 3.77785928 4.55958928
-0.00045587 -0.00005925 0.00004799
-16.28615287 -6.37772873 0.15438223
-0.00010831 -0.00002367 -0.00036375
-3.43027166 1.35024630 -3.98684664
0.00011209 0.00009825 -0.00012351
-8.12225984 8.75603670 -13.63235092
-0.00008185 0.00003715 -0.00005788
18.83659458 -21.94426228 -14.62174456
0.00027904 0.00006287 0.00019729
22.76073674 -1.40907649 -14.10958501
0.00021847 0.00001382 -0.00020236
19.51313801 -6.19191251 -10.28780264
0.00020622 -0.00009260 -0.00023798
5.83267440 1.93463192 -2.21906587
-0.00056978 0.00016652 0.00019520
-2.29970066 -6.29872205 21.58975683
0.00012475 0.00000133 -0.00007906
4.26703029 13.59366152 -19.22027472
-0.00050045 0.00014105 0.00000785
4.86968808 0.37869025 5.39819683
0.00000257 0.00023599 -0.00034099
12.78232126 3.89772360 0.97643863
0.00045740 -0.00019457 -0.00004235
-8.18075284 -0.47754168 5.33181798
-0.00004107 0.00027010 0.00033140
-6.83511981 5.32986626 -5.76496964
-0.00023714 -0.00020364 0.00005734
-5.80917458 -4.58915886 -14.62411785
-0.00013908 0.00014543 -0.00035344
4.51787979 -11.41143597 -1.69807025
0.00008774 0.00039679 -0.00007299
6.81878624 -4.37347281 -12.99969109
0.00010501 0.00006095 -0.00005698
-5.22655067 -13.81430481 5.74775704
0.00005437 -0.00014669 0.00001944
-4.69139965 10.44514612 13.16095402
0.00002260 -0.00012523 0.00029385
9.09736344 -17.96380648 -4.27876558
0.00012074 -0.00035908 0.00001128
-6.28051526 7.10559961 1.30214472
-0.00011453 -0.00023043 -0.00009411
4.68033372 -0.27770547 -6.75809755
0.00008956 0.00004659 -0.00007989
-0.64448032 -12.06632750 4.31959076
0.00015276 -0.00020391 0.00005180
-10.51424467 -3.75472082 11.83489866
-0.00027404 0.00004984 -0.00020155
11.05124028 -11.90198834 10.52812624
0.00003953 -0.00006446 -0.00022567
6.76377629 -12.70372822 -5.88452018
0.00004371 0.00009582 0.00002837
-5.52757272 4.37698824 12.70723270
0.00018392 -0.00026413 -0.00013929
0.44523086 12.70946806 -5.38920198
-0.00027642 -0.00003645 -0.00009302
14.09077523 -9.13125822 -2.72519834
-0.00002054 -0.00023299 -0.00007042
-2.63936376 -5.73025741 3.89133581
0.00006266 -0.00010944 0.00003197
-1.65478519 22.82590822 2.11130916
0.00033472 0.00013993 -0.00010035
-13.20852635 12.51462816 -0.28689198
-0.00034835 0.00012320 -0.00003223
6.89967891 1.03454393 -11.39312986
0.00006910 0.00011100 -0.00026908
-3.15713220 -15.32239848 -25.95862534
0.00001072 0.00025599 -0.00015355
-13.49811769 -1.92733725 -0.12264166
0.00002365 -0.00001772 -0.00007485
2.46354683 2.35375013 9.45217518
0.00000114 -0.00034378 0.00008601
11.46012927 1.18850430 19.12079341
-0.00001631 0.00016837 0.00019624
9.11846630 -10.30962694 6.29012820
-0.00017868 -0.00001795 0.00042649
-11.66110950 -20.62674379 6.21972474
-0.00005201 0.00006825 -0.00025886
-23.98832137 6.98608600 13.60913001
0.00007639 -0.00018385 0.00008406
0.41209665 -6.33979002 8.06946867
0.00021160 -0.00004300 0.00001215
0.86005540 4.33987922 -28.78284028
-0.00022459 -0.00004779 -0.00001208
23.52573016 -0.68079375 14.91423420
0.00027892 0.00001040 -0.00000645
14.66432253 0.55756413 15.06202935
0.00009486 -0.00011283 0.00017422
18.28604923 -3.26156436 -5.74161208
-0.00011525 -0.00009751 0.00031549
14.75830815 -10.62235558 3.57510555
0.00013189 -0.00003169 0.00003824
-30.90974845 -1.53144112 -0.48847498
-0.00012221 -0.00006821 -0.00029320
7.83381230 3.70054943 2.31010425
-0.00029759 0.00018657 -0.00000875
-11.80832057 -19.05057987 11.79418483
-0.00019776 -0.00011559 0.00028649
4.33305275 16.67390888 -8.63648509
0.00120437 -0.00021737 -0.00071980
6.91356350 17.01870368 -7.17719344
-0.00022118 0.00019532 -0.00089699
4.66768184 5.36929567 7.89874482
0.00012115 -0.00045924 0.00049763
5.17961794 8.47372520 7.64595421
-0.00071721 -0.00086469 0.00043678
1.63064719 13.97381284 -8.78332760
0.00008665 0.00008235 0.00080924
2.87829158 13.91617869 -11.45956596
0.00015225 -0.00045797 0.00038764
-11.77629607 -6.09000835 1.76563048
0.00099659 -0.00029447 0.00035824
-9.49815223 -7.12025944 3.30388612
0.00014699 0.00047649 0.00035019
4.05669805 19.02185310 -25.55023196
-0.00100449 -0.00039358 0.00049682
2.75586005 21.59380821 -25.58501769
-0.00085325 -0.00157340 -0.00060147
4.96891392 -4.66027732 2.59272628
-0.00008665 0.00012751 -0.00060746
2.43676583 -3.67678223 1.55521935
-0.00000139 0.00014487 -0.00049661
-12.05573416 6.94107647 15.09092653
-0.00041150 -0.00021409 0.00036754
-10.91917996 9.82476125 16.14824282
-0.00052155 0.00040323 0.00032801
6.12623376 -12.23261913 10.81435757
-0.00045909 -0.00105598 -0.00018724
4.16576195 -14.17539026 11.81153784
0.00050212 0.00028986 0.00062180
-21.27683512 6.32139861 4.68779994
0.00039996 0.00051438 0.00010581
-23.76412343 5.62995696 3.58403395
0.00013873 -0.00020587 -0.00005376
-12.60931520 -3.10591685 -4.94346250
0.00011514 0.00003067 0.00086920
-12.23570701 -3.84105826 -7.82831868
0.00045384 -0.00073000 0.00019855
-13.28223111 -2.23865470 6.02301684
-0.00036590 -0.00019883 0.00061680
-11.61751316 -4.53892155 5.58376735
-0.00012753 -0.00010996 0.00140594
-19.17335717 6.08267971 15.62002868
0.00069210 0.00049768 -0.00025604
-17.81046085 8.96376559 15.51319090
-0.00040464 -0.00048072 0.00025142
-3.59467799 14.00333567 -1.12045488
0.00087445 0.00088737 -0.00037202
-4.21380307 11.12879581 -1.21842795
-0.00014784 -0.00056535 -0.00009418
-11.76731582 14.52589722 -7.66084170
-0.00012922 0.00155465 0.00117108
-12.86531375 12.84177003 -9.77033208
-0.00059407 0.00062784 -0.00036437
27.67619616 5.86167033 -1.15771558
0.00008533 0.00048333 -0.00022023
26.71353534 7.31409270 1.40377142
0.00153825 0.00003100 0.00030106
-26.98558174 2.93722832 6.16627347
-0.00025285 0.00038982 -0.00103555
-27.91723780 4.38709171 3.58965691
0.00068875 0.00079903 0.00050589
-15.25163016 -4.81205653 -0.02994897
-0.00080611 0.00013862 0.00012745
-15.18879743 -7.86887817 0.12704632
-0.00044916 -0.00065098 0.00024296
-1.91252704 2.22826034 -4.66883231
0.00039175 -0.00007935 0.00059108
-2.64867454 0.32171257 -2.67337988
-0.00055762 -0.00007183 0.00033764
-6.96233382 8.68174647 -12.07691927
-0.00008304 -0.00079922 -0.00101958
-9.25901175 7.31278906 -13.48064526
0.00007562 -0.00045963 -0.00023817
17.61114300 -22.82442372 -15.78254996
0.00069270 0.00026564 -0.00018346
20.30620932 -23.08830490 -14.56227673
0.00024923 0.00060310 0.00006456
24.27544140 -0.21881455 -14.12766037
0.00112099 0.00026868 0.00048823
23.14671119 -3.13144569 -14.93136177
-0.00008685 0.00034502 -0.00039168
19.01790731 -5.42853132 -8.64351651
-0.00136502 0.00052530 -0.00043348
19.20265148 -8.01160210 -9.97961382
-0.00038228 0.00073955 -0.00014324
6.89485781 1.90986771 -0.68331947
-0.00019811 0.00059684 0.00006024
6.77714526 1.06248071 -3.43776523
-0.00116622 0.00053579 0.00034134
-0.83708667 -5.31697601 21.08596488
0.00069725 0.00006380 0.00003696
-2.37286519 -5.78478863 23.42295755
0.00061388 0.00081039 -0.00079665
2.60389111 12.84998618 -18.94824502
-0.00053618 0.00129191 -0.00034344
3.84590704 15.23082215 -18.43113351
-0.00022109 0.00026401 -0.00010378
3.98009474 -1.01693875 4.37350779
0.00004840 0.00035151 0.00058560
5.11488369 1.72484644 4.14227144
-0.00071706 -0.00004448 -0.00052424
13.38298577 3.30183736 -0.67255965
0.00034007 -0.00016493 0.00062429
14.15831397 5.21226261 1.51348291
0.00033773 0.00023051 0.00047500
-9.31070901 0.96510735 5.30444246
-0.00011547 -0.00024335 0.00038854
-8.75205016 -1.76749248 6.45776538
0.00067796 -0.00181390 -0.00004247
-6.89213381 3.72985594 -4.99407961
-0.00085491 0.00066851 -0.00004856
-8.56004966 5.90967084 -6.22349844
-0.00024412 -0.00043900 -0.00079888
-4.70963360 -3.27154540 -14.15630932
-0.00046512 -0.00074684 -0.00062420
-5.55066424 -5.59383112 -12.95387279
-0.00078861 0.00070875 0.00013509
4.16685724 -10.14429474 -0.42150980
-0.00068406 -0.00079849 0.00122894
4.05718758 -12.98700475 -0.93746002
0.00060634 -0.00035378 0.00021402
8.28931497 -4.96975851 -14.03142989
-0.00057156 0.00000972 0.00050958
6.52618822 -5.21206652 -11.25736287
-0.00065712 0.00003666 0.00061199
-6.20476590 -14.29095183 7.33605075
0.00017243 0.00075211 -0.00070866
-3.89675668 -12.61205420 6.25556052
0.00053342 -0.00052497 0.00034535
-3.30627118 9.14970963 13.37825548
0.00030887 0.00010505 -0.00027394
-5.42719122 10.03992340 14.84531729
0.00062815 0.00167989 0.00019923
7.29175971 -18.11962265 -4.07865958
-0.00055347 0.00000449 0.00045351
9.47216995 -16.06457407 -4.34503038
-0.00021683 -0.00006614 -0.00096248
-4.77017828 7.48709678 0.23927238
0.00065731 0.00056288 -0.00036170
-6.15442530 8.29166329 2.70709287
-0.00041846 -0.00021325 -0.00022453
5.28329602 -1.90974767 -7.36422654
0.00035963 -0.00062151 -0.00044878
2.87083453 -0.44422789 -7.40486628
-0.00025988 -0.00037077 -0.00040184
0.01755827 -13.70388908 3.68097479
-0.00016144 -0.00034894 -0.00055054
-1.70032737 -11.46172363 2.92132345
-0.00024893 -0.00013780 -0.00043369
-11.61829223 -3.82032942 10.45627150
0.00014435 -0.00059589 -0.00050919
-8.94128167 -3.48844419 10.79559511
-0.00005239 -0.00010412 -0.00011087
12.68222098 -12.75549462 10.29809975
-0.00007463 0.00053124 -0.00017209
10.67537721 -11.07927097 8.84053492
-0.00077875 0.00016069 -0.00042098
6.25512021 -12.08476491 -4.17492451
0.00049372 -0.00003992 -0.00022953
8.33689583 -11.88174693 -6.48674353
0.00000732 0.00023341 0.00007710
-4.22131601 4.55274864 14.02021346
0.00016744 0.00086291 -0.00130345
-4.71675834 3.81394087 11.03723601
-0.00027146 0.00056594 0.00101429
1.95731380 12.78439955 -4.47397915
0.00064918 -0.00045429 -0.00159391
-0.65014568 13.85323627 -4.68563816
-0.00066668 0.00103281 0.00021755
15.77009725 -9.29465065 -2.04125368
-0.00045553 -0.00025628 -0.00026513
13.88991396 -7.45781239 -3.54481845
0.00042602 -0.00019890 -0.00077248
-0.84098765 -6.07671080 4.59770754
0.00029200 0.00041342 0.00053823
-3.52167749 -5.31342894 5.42880325
0.00099456 0.00035108 0.00028769
-1.78038129 21.09239021 2.76492734
-0.00041087 -0.00093678 0.00064914
-2.42327908 24.24413419 3.01305112
-0.00067708 0.00005857 0.00068252
-13.52926047 10.70626180 -0.13635074
0.00078418 0.00057450 0.00074431
-11.56446539 12.64379369 -1.02759363
0.00070461 0.00003419 -0.00031124
6.09433596 0.44493992 -9.85321666
0.00000691 -0.00025812 0.00043051
7.12811694 -0.60877742 -12.27367894
-0.00032839 0.00014428 -0.00107599
-4.61697315 -15.87023108 -26.84996779
0.00089924 0.00052268 0.00037831
-1.73347573 -16.24621923 -26.74767748
0.00025579 -0.00016898 -0.00021836
-13.65965457 -1.03737916 -1.76761349
0.00060176 -0.00044652 -0.00085154
-11.62826232 -2.03964623 0.09675019
-0.00030620 -0.00041639 0.00036021
3.27214389 1.73627350 7.80334920
-0.00033450 -0.00094952 0.00002478
3.88623847 2.16560549 10.71957587
0.00016756 0.00036660 -0.00013443
12.68050911 1.03650310 17.66635390
-0.00024377 -0.00131085 -0.00021555
10.79919978 2.96411974 18.85125560
0.00033085 -0.00037986 0.00067927
10.17783085 -9.79287936 4.80436638
-0.00021426 -0.00152922 -0.00034086
7.32861629 -10.19886440 5.79024580
0.00142649 0.00110814 -0.00002223
-13.22581390 -20.31521657 5.33055551
-0.00005471 0.00032423 -0.00026377
-11.83963408 -19.94179289 7.87742747
-0.00097793 0.00051885 -0.00028174
-22.35775424 7.69301261 14.19870767
0.00100574 -0.00100127 -0.00018678
-23.59693580 6.31979207 11.91991544
0.00010489 0.00047794 -0.00032373
1.37910506 -6.87952480 9.61423831
-0.00023879 0.00051630 0.00006557
-1.28025693 -6.95417843 8.62589236
0.00083684 -0.00030300 0.00070623
0.41165032 4.51602563 -30.58420382
-0.00016876 -0.00054637 0.00069978
2.07507926 2.89496852 -28.74917028
-0.00063913 -0.00041632 -0.00063128
22.80605380 -1.03947501 13.20158235
-0.00087203 -0.00081812 0.00060771
22.53426639 -1.32778857 16.25323084
-0.00035531 -0.00051002 0.00012333
16.01522471 1.46890238 14.10882680
-0.00048407 -0.00065099 0.00007136
14.12029197 -0.88015434 14.00101187
0.00060005 0.00078428 0.00032980
18.48718124 -4.14785546 -4.17042243
-0.00019770 -0.00056788 -0.00055036
16.90689374 -2.07804252 -5.41266905
-0.00064761 0.00051274 0.00105495
15.93991686 -10.48432052 2.05978368
0.00000973 0.00004608 -0.00074902
15.41844062 -12.17792772 4.57887371
-0.00058044 0.00115331 0.00153622
-31.58152102 -2.85618454 0.79479296
0.00004887 -0.00072409 -0.00139889
-29.76625774 -0.49945513 0.52640949
-0.00052833 -0.00003170 0.00004547
9.60779525 3.63227094 1.77140156
0.00118447 0.00157278 0.00139536
7.05105122 5.26348488 1.62553779
0.00050109 -0.00093588 -0.00059128
-13.17878973 -20.37125336 12.11710108
0.00036771 -0.00037439 0.00007475
-10.66728609 -19.66888002 13.13878706
-0.00018585 -0.00018639 -0.00113779