First atomset in PBE400 file s0008/md075.r
22.34512641 13.28855263 14.10625222
0.00016964 -0.00041416 -0.00008233
20.78392603 -2.14374116 -33.37724808
0.00001466 0.00002414 -0.00006368
-8.69629013 -10.85609463 20.17072047
-0.00011670 0.00000003 0.00015137
12.74500650 13.06438383 24.80258540
0.00034262 -0.00034809 -0.00028382
13.59519051 11.29116998 11.00602108
-0.00004805 0.00006748 -0.00001800
-7.57389190 21.55501234 -2.61297625
-0.00022350 0.00011646 -0.00020214
-12.73707258 -2.47049987 -6.48375059
-0.00012059 0.00018729 0.00018192
-11.97878462 -16.88240874 -11.28683968
-0.00005556 -0.00017466 0.00001427
27.75670743 -9.50682747 -9.83902552
-0.00007116 0.00014885 0.00000615
-4.51550622 -1.84968265 -19.37415802
0.00018232 -0.00006476 0.00002243
-7.48986852 3.06790314 -18.27582516
-0.00001001 0.00017844 -0.00030272
-1.30904390 -11.34840450 3.91111611
-0.00045228 -0.00012867 -0.00000106
22.26655801 -13.32371255 -5.07227492
0.00012920 -0.00038624 0.00009493
-16.66360010 -3.94093715 -3.37304639
0.00008818 0.00018335 -0.00034597
7.86522326 19.75496986 25.48339422
0.00017431 0.00002425 0.00003340
4.15778912 -11.21937527 -23.35332477
0.00001725 0.00028459 0.00001617
5.68182691 7.82650109 29.17943647
-0.00008593 0.00000946 0.00022582
-0.90625073 16.68091558 -24.61406688
0.00015076 0.00023643 -0.00026359
-22.23311431 0.95215813 -2.54498696
-0.00026296 0.00018232 -0.00004897
-4.13389108 6.88809059 4.48638886
0.00005296 0.00008612 0.00008181
-4.68752128 -6.74444376 -8.49302762
-0.00013440 0.00013119 0.00021400
13.70475162 14.27769194 15.55694178
0.00006631 0.00015036 -0.00005584
-21.47911200 -12.87306791 -15.73445474
-0.00012798 0.00014203 -0.00026511
-4.01277171 0.67645576 -0.91817971
-0.00001552 0.00021524 0.00035907
16.79072418 0.09394974 16.11510769
0.00000599 -0.00011576 0.00007326
-17.19606031 5.31134108 0.78114434
-0.00009376 0.00012519 0.00002131
-6.32814545 5.40624092 -8.76681650
-0.00014437 -0.00024166 0.00036877
-21.28116332 18.24461869 -4.96059228
0.00017533 -0.00043040 -0.00037949
7.51468460 -16.12132738 16.76610010
0.00018316 -0.00031134 0.00040139
-11.05782573 6.10620030 -2.45941835
0.00017323 0.00002362 0.00011735
-1.00526314 -3.95568060 -16.18516181
0.00015331 0.00011347 0.00001760
9.70769765 -12.25120866 7.82962169
0.00015890 -0.00023600 -0.00000726
5.84385331 5.04269295 10.48570683
-0.00014516 -0.00039135 0.00008513
-5.44761884 -14.29234970 10.64538373
-0.00009320 -0.00034702 -0.00011686
-5.85988086 -6.52540408 -3.51385573
0.00008060 -0.00014450 -0.00023366
-1.09699073 6.55968551 8.91694178
-0.00008630 -0.00027394 -0.00035830
-8.59589809 -6.69527269 8.40664630
-0.00016197 0.00016576 0.00007284
-15.19201228 -9.69066703 -6.94842760
0.00010976 0.00007303 -0.00011540
17.14351743 -15.18349468 -4.38641247
0.00048709 -0.00023033 -0.00019957
7.07843984 20.78436537 8.06262138
-0.00022230 -0.00001166 0.00002543
33.48929026 -20.18824140 -6.39395973
-0.00000399 0.00004673 0.00001700
29.02453770 -9.19508404 8.23172441
0.00018754 0.00030756 0.00026161
-10.85476339 -0.79557183 12.03069972
0.00040738 0.00029370 -0.00023961
1.33641420 25.93783125 4.14755868
-0.00018751 0.00006175 0.00029670
-12.33429534 -20.35645949 7.57111435
0.00014794 0.00022003 -0.00017165
-6.54652903 16.44059783 -21.86141469
-0.00019904 0.00002301 -0.00011320
19.94310954 -17.61377048 -1.01018885
-0.00012057 -0.00020924 0.00030655
12.63385287 -1.47845600 0.75940488
-0.00001615 -0.00001914 0.00000363
3.39828387 31.90205129 -9.79678642
-0.00007358 -0.00021720 0.00016052
26.11422529 -6.30016137 -18.68257656
0.00000985 -0.00045756 -0.00008061
-19.56073634 24.12977896 -12.13226540
-0.00038902 -0.00037293 0.00026971
-15.24239636 -8.57437558 1.92158604
-0.00031966 -0.00037758 0.00028896
8.72382279 10.15236717 -2.78944930
0.00033322 0.00004199 -0.00010146
-21.83017360 -2.87237401 0.80669876
-0.00011969 -0.00017250 0.00004566
1.85449051 -16.85379571 -1.74844506
-0.00003389 0.00007826 -0.00016290
-1.10449105 5.63949225 -8.20440206
0.00019104 -0.00031775 -0.00006584
-4.02489117 15.64616379 7.07009943
-0.00074614 0.00013857 -0.00018273
-20.94313079 -4.78299781 -11.27668837
-0.00031799 0.00034791 0.00018166
6.35156379 0.73274250 4.29482226
0.00000744 0.00031748 0.00033366
13.87779915 -1.62344195 6.00058650
-0.00019754 -0.00030028 -0.00012421
-34.32136230 3.65222365 1.81837870
-0.00017953 -0.00003149 0.00007702
-23.76962889 1.37975890 8.82571055
0.00050339 -0.00010700 0.00034407
-8.31000887 -13.68433978 4.38948833
0.00023187 0.00044420 0.00013461
0.79864800 0.82782542 -7.65841253
-0.00014198 -0.00005643 -0.00009262
23.89272434 14.09032730 14.13317283
0.00069758 -0.00029224 0.00067662
22.01628863 12.39267418 15.60328234
0.00020187 -0.00063810 -0.00055093
22.33083641 -1.41094250 -32.70559958
0.00140028 0.00108002 -0.00049042
20.38374553 -0.91757107 -34.61643182
0.00010035 -0.00024565 -0.00039166
-7.59405529 -12.41318846 20.06103090
-0.00028490 0.00011226 -0.00094433
-9.40513747 -10.67444016 21.94690794
0.00140962 -0.00061688 -0.00032629
13.81381921 14.43641114 25.52479714
0.00033117 -0.00025729 0.00027324
10.86531615 13.74898984 25.03197554
-0.00074502 -0.00075657 0.00033315
14.03916733 12.28424429 12.47972356
-0.00008659 -0.00037347 0.00004063
15.10779822 10.37615399 10.41666154
0.00048961 -0.00053685 -0.00033811
-7.11569058 19.70474108 -2.73063239
0.00019007 -0.00004670 0.00087038
-9.07041714 21.46865665 -1.39292348
0.00082980 -0.00016214 0.00036635
-11.39771391 -3.55951863 -6.06280851
-0.00040556 0.00068514 0.00000050
-14.08245406 -2.85651388 -5.11818704
0.00044453 -0.00026411 -0.00063582
-11.71122597 -15.16594704 -10.97107555
-0.00073892 -0.00140115 -0.00040256
-13.41168266 -17.46877666 -10.23741160
0.00083554 0.00061704 0.00010978
28.18727068 -9.83617607 -11.58961063
-0.00022921 0.00009478 -0.00026571
29.19508886 -9.95717110 -8.73689866
0.00010806 0.00010869 0.00095315
-5.02876105 -0.06917142 -18.79625088
0.00014197 0.00006975 0.00009680
-3.35628963 -2.39796476 -18.12894694
0.00010388 0.00046634 0.00042371
-7.23677992 4.83514416 -18.30990313
0.00092567 0.00013585 0.00013926
-8.96019771 2.98914751 -17.09368706
-0.00041496 -0.00018688 -0.00012917
-0.18847885 -10.55445762 2.68294840
0.00001246 0.00051384 0.00016916
-2.15252909 -12.73375578 2.92669093
0.00042384 0.00058433 -0.00024957
20.66111496 -13.59063595 -4.14465448
-0.00031015 0.00083094 -0.00082509
22.51920557 -14.90946853 -6.11819053
-0.00078775 0.00030878 -0.00014134
-15.98456722 -5.59713544 -2.93326876
-0.00063306 0.00165202 0.00082682
-18.41043789 -4.22457254 -4.16502708
0.00007014 -0.00049300 -0.00015765
6.71830851 19.66478392 24.04921460
0.00000242 -0.00002419 -0.00062735
7.22161646 21.01630146 26.78977422
0.00043738 0.00008562 -0.00054965
5.53924305 -11.91410334 -24.46017906
0.00001702 -0.00005986 -0.00062416
2.52407315 -12.11378461 -24.09314740
-0.00055366 0.00079609 -0.00055530
7.28502942 8.70050925 29.51203349
-0.00066443 -0.00003219 -0.00087781
5.97793235 6.62405147 27.68519928
-0.00054025 0.00029597 0.00084553
-0.48067776 18.26399000 -23.89281034
0.00025901 -0.00035677 -0.00036928
-2.70042469 16.58414438 -25.26200157
-0.00020566 0.00038331 -0.00015321
-21.88428552 2.77904354 -2.26663045
-0.00000416 -0.00038486 -0.00022367
-23.78600327 0.79816754 -1.73668385
-0.00041531 -0.00041877 -0.00015546
-3.77770981 6.39691602 2.62919841
0.00019253 0.00005942 -0.00039468
-5.48217020 8.13764468 4.28525109
-0.00012020 0.00004277 0.00025340
-4.28661239 -5.04678786 -9.18090424
-0.00002355 0.00064044 0.00038037
-3.29162274 -7.98180433 -9.11106491
-0.00048201 0.00006104 -0.00035653
14.09400139 13.70682572 17.27833776
-0.00026970 -0.00002745 0.00101454
15.34368476 15.16008282 15.20122175
0.00129490 -0.00002575 -0.00087964
-20.22570101 -13.37806525 -16.99312158
-0.00004432 0.00007260 -0.00008163
-22.76133317 -12.37137367 -16.83229047
0.00047426 -0.00019353 0.00048328
-3.24953923 -0.54357901 0.34646784
0.00022216 -0.00031148 0.00085173
-5.68483347 -0.10803998 -1.74247934
0.00022778 -0.00055118 0.00042715
18.41701575 -0.57766245 15.57058009
0.00070555 -0.00013507 -0.00014864
16.44126084 -0.75753755 17.66568617
0.00045110 0.00004005 0.00026903
-15.59727291 5.87987546 0.09177742
0.00043333 -0.00003899 0.00036293
-16.84181165 3.69409030 1.67957832
-0.00152670 -0.00038767 -0.00061449
-7.19806927 6.03154288 -10.23770057
0.00018121 -0.00005173 -0.00028455
-6.90744175 3.65245234 -8.25866646
0.00027696 -0.00023639 -0.00008177
-22.31458716 17.33991256 -3.74765527
0.00047333 0.00116026 -0.00099393
-21.09277175 17.20610414 -6.41718345
0.00037717 -0.00042235 -0.00102292
8.16925711 -17.83539147 16.62817561
-0.00068070 0.00076387 -0.00182599
6.13561128 -15.59507236 15.73108013
0.00003068 -0.00118731 -0.00030799
-10.98962680 5.25301571 -0.79120481
-0.00087037 0.00010453 0.00093244
-9.32007001 6.74260983 -2.71164297
-0.00014290 -0.00032342 -0.00084144
-0.61478228 -2.71144636 -14.92333308
0.00016810 -0.00005200 -0.00020756
0.50476327 -4.73791351 -16.82978838
0.00036350 -0.00019536 -0.00036318
11.45048544 -12.20249043 8.73748792
0.00095472 0.00010853 0.00073352
10.00038210 -11.01227903 6.42283274
-0.00107193 -0.00090650 0.00016931
5.49953224 6.58300709 11.58233634
0.00047769 -0.00147337 -0.00033513
5.87639671 5.86624113 8.69042909
0.00047756 -0.00038404 -0.00016253
-3.98825171 -15.51476869 10.37712004
0.00023691 0.00060534 -0.00019133
-4.84555312 -12.95017352 11.71723763
-0.00013674 -0.00033706 -0.00012364
-5.41698632 -6.54586476 -5.27844289
0.00028525 -0.00023109 -0.00058405
-6.72881216 -8.23844227 -3.15870584
-0.00108333 0.00019136 0.00008082
0.21337212 7.80040087 9.33612732
0.00066815 -0.00047886 0.00047900
-1.63503987 7.11614845 7.21891678
0.00001099 0.00018218 0.00003180
-6.83634584 -7.31570650 8.04244184
0.00079610 0.00076435 -0.00034272
-8.61951343 -6.60098791 10.23596081
-0.00019974 -0.00018733 -0.00029218
-14.65190353 -10.51598864 -5.31914677
-0.00069169 0.00006049 0.00028707
-13.70900328 -9.23171566 -7.90554214
-0.00074139 0.00007331 -0.00018425
18.28709351 -16.01144031 -3.08531260
0.00025865 0.00108759 -0.00003396
17.13271502 -16.00123310 -5.99070449
-0.00071316 0.00113427 0.00050203
5.84109639 19.36775083 7.93071030
0.00057446 -0.00002904 0.00033685
8.67222904 19.86427124 8.20642596
-0.00007551 -0.00014258 -0.00077107
34.17392976 -21.85192832 -6.84891756
0.00060317 -0.00018757 0.00047610
34.52081624 -19.57227145 -4.97618395
0.00043358 0.00046027 -0.00177434
27.57230183 -10.38039044 8.00840807
-0.00016447 0.00195893 0.00051633
30.63258138 -10.08828365 7.79917668
0.00056950 0.00046303 -0.00015734
-11.84974558 -1.31811706 13.46078079
-0.00019578 0.00114928 -0.00022351
-9.47914834 -0.06961175 13.03275283
0.00067892 -0.00034557 -0.00012466
1.64266668 27.74890271 4.52013426
0.00079470 0.00119958 -0.00003555
0.40842950 25.10487090 5.67026711
0.00084504 -0.00058803 0.00020488
-13.16913704 -20.03658590 5.93097920
-0.00040211 0.00032774 -0.00038537
-13.29820663 -19.37612446 8.85542184
0.00012414 -0.00048135 0.00026754
-6.14295585 16.00022654 -20.13669376
0.00066486 0.00087011 0.00075522
-5.55874391 17.92584957 -22.03020927
0.00069066 -0.00028861 -0.00086682
21.66526399 -16.98602779 -1.10097773
-0.00030667 -0.00004577 0.00067617
20.01259132 -19.46007343 -0.38704617
-0.00001209 -0.00051754 0.00060095
12.91929191 -1.78419450 2.55858791
0.00048511 0.00052502 -0.00088574
10.84998744 -1.90219322 0.43519213
-0.00027089 0.00023284 0.00010018
1.75262335 30.90681846 -9.87788736
-0.00120888 0.00145704 -0.00085121
3.25775639 33.75682711 -9.63176885
0.00088278 -0.00036055 0.00081742
26.53989227 -5.43715274 -20.17942496
-0.00016360 -0.00026783 0.00013587
27.61892117 -7.18230137 -18.08597245
0.00036221 -0.00043990 0.00061816
-18.36288178 22.74097216 -12.83559630
-0.00008208 -0.00128665 0.00030014
-18.33375569 25.63930387 -12.04748766
-0.00067284 0.00077964 -0.00067988
-16.86488629 -9.21205635 1.42466849
-0.00040422 -0.00039730 0.00016689
-15.54041650 -6.77007843 2.32501686
-0.00007079 -0.00059996 0.00037103
8.60793278 8.95007315 -4.16541567
-0.00058873 0.00013700 0.00070376
10.47519965 9.51897850 -2.15224896
-0.00023007 -0.00037480 0.00018335
-21.12490202 -1.73469505 -0.50114447
-0.00060886 0.00086899 0.00006341
-22.04957888 -1.54255652 2.15038316
0.00087063 -0.00010753 -0.00049515
3.35764921 -17.43754060 -0.95010857
-0.00057490 -0.00043090 -0.00013825
2.36390221 -15.84447309 -3.11938623
-0.00018289 0.00113995 0.00007467
-0.54307750 3.87391551 -7.82286948
0.00004319 0.00112350 0.00013446
-2.76210598 5.45013578 -8.94808936
0.00032329 0.00106699 -0.00005517
-2.95760355 17.15025234 7.36014133
0.00033396 -0.00022498 0.00075192
-3.18138070 14.29375267 6.14614510
-0.00053803 -0.00051769 0.00071697
-20.22308830 -6.20577668 -10.51481266
0.00003634 0.00083515 0.00054797
-22.71411520 -4.97926724 -11.63986500
0.00015889 0.00023530 -0.00065060
6.40407654 0.14263765 6.07819945
-0.00027104 0.00057773 -0.00082618
4.62162830 1.43506417 4.47660110
-0.00058974 0.00057774 -0.00074875
13.12962981 -0.84835257 7.57392552
0.00007963 0.00089546 0.00079982
14.28952934 -3.32433853 6.45173329
0.00018800 -0.00024279 0.00092647
-34.36267046 1.84343330 1.36451203
0.00020429 0.00047747 0.00035636
-32.84564945 3.73572032 2.96851317
0.00005210 0.00106021 0.00028314
-24.47556775 3.14050347 9.37629838
0.00091880 0.00040552 0.00026911
-21.95859722 1.35890250 9.69053007
-0.00099778 -0.00004916 -0.00024098
-8.92430913 -12.51270688 3.07722501
0.00068388 0.00008128 -0.00069897
-8.68542581 -13.19183456 6.19159743
-0.00074349 0.00112812 0.00030861
2.61706175 0.48874871 -8.44548802
-0.00013469 0.00100027 0.00055245
1.17877709 0.92377073 -5.80442898
0.00045345 0.00010399 -0.00013358