First atomset in PBE400 file s0012/md073.r
13.58554171 -11.45387711 15.76257952
0.00019047 -0.00025664 0.00055422
-8.21430589 -17.20400575 -0.15981715
0.00011750 -0.00013330 -0.00068989
-28.34745674 0.26398204 13.89001149
0.00006399 -0.00005327 -0.00005903
17.91366616 9.89304138 -9.51701991
-0.00006242 0.00016787 0.00004268
-0.03862592 19.62002637 -29.58005191
0.00015444 0.00020903 0.00013130
14.58024807 10.03099887 -17.69927778
-0.00003821 0.00024330 0.00005300
0.03458657 -13.18846741 -5.45974968
-0.00027184 0.00006350 0.00031476
18.13757897 0.43443752 -20.04085183
0.00014806 0.00009445 -0.00010697
12.07681767 1.20111203 -40.73153690
0.00001687 0.00035257 0.00027947
-13.19788560 1.19205539 0.04171593
0.00026274 0.00025399 0.00021736
-5.49671409 -28.32313762 14.14156672
-0.00003190 0.00020387 0.00032843
4.04831706 10.11434381 -12.48358406
-0.00004558 0.00001219 0.00028407
10.64936739 -2.75734511 -10.35289397
-0.00016192 0.00032335 -0.00004094
-8.71340203 2.55785636 -4.80773090
-0.00020735 0.00000701 -0.00016673
1.65693018 11.86739047 3.86700216
-0.00035238 -0.00012281 -0.00043339
9.20892774 32.46471280 11.41980156
-0.00043179 0.00010771 0.00013749
17.52752914 -1.29419191 20.42557291
-0.00023389 0.00006141 -0.00018637
24.95442187 5.50516920 9.54824413
0.00015160 -0.00046881 0.00013551
7.42937432 21.91220120 -7.01180448
0.00005993 -0.00041095 -0.00000750
2.46686059 -1.59569595 8.55177619
-0.00000731 -0.00001566 0.00023473
8.46999928 -12.81085728 16.29004191
-0.00014972 0.00017582 0.00002457
0.02835314 4.94650291 -8.35289249
-0.00004110 0.00006729 -0.00006075
-19.22435650 3.48819820 4.80107050
0.00004839 0.00016599 0.00023575
8.80011600 17.71600814 2.73512155
0.00004892 0.00025244 0.00012380
-2.39129353 -1.73893232 8.97806924
0.00011520 -0.00027266 0.00019086
-3.19254460 -6.31619592 4.53328970
0.00000262 0.00022189 0.00020202
6.66473728 15.34395398 -7.43333214
0.00009526 -0.00005464 0.00009637
3.73403205 5.10345561 -4.30167662
0.00015905 -0.00005456 -0.00010328
-13.50175465 -3.58775093 7.61309665
0.00036986 0.00029799 0.00019169
7.62220736 18.58853628 -2.95768153
0.00018450 -0.00005479 -0.00051301
6.84567364 -0.32922225 4.03689633
-0.00001558 0.00023322 0.00027556
-8.29806970 -6.54916414 19.08995640
0.00032340 0.00015957 0.00033074
5.62575767 13.67517716 7.36567419
-0.00015162 -0.00005050 0.00014495
-3.74028742 14.44692269 -3.58674495
0.00012656 -0.00012120 0.00031734
-2.92527290 5.56832889 6.28741030
-0.00013175 0.00020077 0.00019299
-4.90905836 4.95699177 16.07124448
-0.00005948 -0.00001523 -0.00038686
6.94380220 -16.08235632 4.11490026
-0.00026837 0.00048897 0.00021023
-23.67648218 -1.17325769 -19.52939347
-0.00021706 -0.00010989 -0.00006713
18.15891859 -13.84117331 -14.47195443
-0.00036985 -0.00025229 -0.00018881
-1.87544581 -33.90905917 7.91945256
0.00022254 -0.00052390 -0.00015050
-7.97950459 5.52342102 4.44650740
0.00011196 -0.00014898 -0.00005263
-24.79425301 7.93734217 2.27625833
-0.00006885 -0.00007723 -0.00015840
6.32875389 -13.80011145 20.78821035
-0.00000135 -0.00035479 0.00030278
-9.24570073 -10.26196601 1.73002400
0.00006850 -0.00013587 -0.00003318
-8.48708594 -5.96941830 3.60454031
0.00014511 -0.00042413 -0.00040619
8.92488232 -11.08790325 1.98943762
-0.00033663 0.00007270 0.00013716
-5.23398560 10.35004122 -0.27639948
0.00002865 0.00021903 -0.00025632
1.26211631 4.12066182 0.33043989
-0.00032653 -0.00048533 0.00011545
9.14228874 2.94575253 -4.82631107
-0.00026287 0.00009155 0.00012266
-9.00569466 -0.24792688 -12.50689882
0.00018370 0.00017686 -0.00007955
2.67220613 -0.08356595 -8.93688717
-0.00020548 0.00006920 -0.00010862
-17.41858298 -5.84886172 -12.97568777
0.00013008 0.00022793 -0.00096417
-7.26577811 18.63303141 -14.29086652
0.00023318 -0.00005624 -0.00023061
-12.84013453 -10.91517133 8.28195052
-0.00015394 -0.00039008 -0.00017521
-0.35863379 -7.80629560 -23.06623257
-0.00039158 -0.00002698 -0.00001412
-10.92850007 -7.29536827 11.64429327
0.00002032 0.00018841 0.00009625
-0.49485922 -0.52704100 -2.05690347
0.00028590 0.00047787 -0.00013734
4.11159995 -4.66959317 1.01813382
-0.00000966 -0.00005684 0.00000574
-2.27468577 -8.84988719 12.80045637
0.00013988 -0.00044397 -0.00019563
2.14000714 -10.22819456 15.04149548
0.00014191 -0.00007020 0.00012110
-16.91655382 0.57461451 10.23639075
0.00022273 -0.00003081 -0.00002321
-10.60832656 -3.33700317 22.97671343
-0.00012070 -0.00021643 -0.00004526
8.81982184 4.87083479 8.97639252
0.00023884 -0.00003027 0.00027513
9.96851658 6.42412875 -0.04330929
0.00014513 -0.00023420 0.00022275
13.30270962 -9.74752511 15.01908798
-0.00037314 0.00049691 0.00077788
11.87335334 -12.09699950 16.21576154
0.00110643 -0.00070385 0.00019711
-7.80685313 -18.00289704 1.54922655
0.00060137 -0.00002539 0.00028536
-7.93982739 -18.40573073 -1.51264037
0.00142135 0.00004711 0.00056087
-28.70727671 1.53354509 15.05702763
0.00211075 -0.00034480 0.00026333
-30.02087110 0.41958035 12.96458658
0.00082261 0.00002039 0.00110450
19.05209605 11.32006761 -9.62117306
0.00108527 -0.00059080 -0.00014256
16.31049616 10.60313464 -8.83273510
-0.00058630 0.00029800 0.00056786
-1.56522823 18.98502020 -30.27519710
-0.00036542 -0.00171412 -0.00223200
-0.52345691 20.49389045 -28.11489134
0.00033809 -0.00035117 -0.00006829
16.11451681 10.28649307 -16.43334561
-0.00049969 0.00008400 -0.00085152
13.12402426 10.94432049 -16.93710811
0.00026506 0.00112980 -0.00013787
-1.45798109 -12.14111488 -4.96818370
-0.00109704 -0.00043036 -0.00006977
-0.73387846 -14.53668329 -6.45874267
0.00023267 0.00037813 0.00041844
17.62744313 1.81529960 -19.00850933
0.00043825 -0.00065992 -0.00004306
16.52800182 -0.51340043 -20.39660910
0.00006739 -0.00050380 -0.00066479
11.10348935 2.18777504 -39.46126434
0.00015011 -0.00012389 -0.00043814
10.62062943 0.57807908 -41.77150217
0.00125137 -0.00022691 -0.00049607
-14.55132570 0.54706965 1.09024359
-0.00037240 0.00071509 -0.00066902
-12.04118295 -0.19372182 -0.19890690
-0.00004847 -0.00012559 0.00087737
-5.28907505 -26.39446095 14.58528870
-0.00019180 0.00022701 0.00077142
-6.46742379 -29.24250936 15.42523903
0.00059964 -0.00081570 -0.00009769
3.23792532 8.39786194 -12.69819531
-0.00062486 0.00011524 -0.00057284
3.33220167 11.01846498 -10.96304391
-0.00009498 -0.00074795 -0.00069744
9.36425620 -2.50621689 -8.95564992
-0.00103447 0.00034096 -0.00150005
11.09244871 -4.58009476 -10.99795008
0.00041818 -0.00067388 0.00004905
-10.70611379 2.87076397 -5.10213313
0.00032727 -0.00081431 0.00051655
-8.32109707 0.75514199 -4.02505580
-0.00026717 -0.00030311 -0.00064585
0.99950064 13.13192941 2.82885536
-0.00092311 -0.00048495 -0.00020191
0.63625829 12.03260437 5.42374348
0.00029592 0.00015541 0.00017119
8.80167753 30.63311867 10.56716447
-0.00066993 -0.00055136 0.00035348
7.35987244 33.05037909 11.43868079
0.00040471 0.00025435 -0.00028231
19.23418178 -0.72397034 20.11970823
-0.00112570 -0.00028869 0.00029666
17.75411009 -2.26100647 21.97076035
-0.00029708 -0.00103230 0.00009452
23.20870674 5.80388436 9.25421491
0.00053836 -0.00025108 0.00043747
25.48410137 4.93669141 7.87991053
-0.00002687 0.00025711 0.00050317
5.79234662 22.68439990 -7.82079384
0.00102562 -0.00089366 -0.00034695
8.10065418 23.49762093 -6.19601424
-0.00009409 0.00001237 0.00029003
2.23807856 -1.20839021 6.70741286
0.00037120 0.00067620 0.00088193
0.69574204 -1.48587067 9.34236071
0.00039090 -0.00051986 -0.00031721
7.69629107 -11.23894167 15.80551096
-0.00040887 -0.00010948 -0.00011003
8.18831958 -14.20202355 14.99396544
0.00039421 0.00064932 0.00030971
0.21684276 4.65746019 -10.24301366
0.00021384 -0.00034028 -0.00070490
-1.76881007 4.58010805 -8.15930420
-0.00043200 -0.00016369 0.00109860
-20.49114335 3.86600750 3.44418410
0.00014738 0.00022206 -0.00077176
-18.04804537 4.96515093 4.56635466
-0.00025171 0.00015133 -0.00135196
6.94001894 18.27832807 2.89108926
-0.00051726 0.00022298 0.00054693
9.56137798 18.46151837 4.13876875
-0.00003698 0.00085281 0.00071958
-3.92560119 -2.74574693 8.40412556
-0.00121096 0.00053036 -0.00057460
-3.01399293 -1.02210057 10.50568567
0.00111378 -0.00035214 0.00028918
-2.43336599 -6.83676264 2.91380368
0.00057502 0.00050086 -0.00000646
-4.98210702 -6.39680878 4.20490836
0.00083978 0.00041138 0.00105907
4.90153409 14.91811826 -7.27485714
-0.00010928 0.00009052 -0.00008584
6.57807892 16.70913301 -8.63339830
-0.00025879 -0.00149899 0.00030089
3.91443725 6.93376146 -3.94533900
-0.00035090 0.00024683 -0.00007385
2.31746525 5.15176856 -5.60204527
-0.00085537 -0.00098546 -0.00023006
-14.89075257 -4.28099599 8.65105843
0.00008635 -0.00006937 -0.00105354
-12.71954782 -2.25333357 8.55519355
-0.00098681 0.00009295 -0.00039113
7.44476363 17.11956195 -3.92554143
-0.00040112 -0.00008361 -0.00065061
7.43259053 19.94733596 -4.18592556
0.00025900 0.00056944 -0.00034640
6.78072988 -1.59680055 5.44351765
-0.00044405 0.00023403 -0.00080799
5.97040242 1.28746362 4.61072014
-0.00015404 0.00092018 -0.00012709
-9.77280759 -7.64929601 19.43019595
0.00001049 0.00042328 0.00083243
-8.88093939 -4.97214749 20.03166622
-0.00012232 0.00048894 0.00015999
5.07311835 12.02438370 8.22329141
-0.00043165 0.00040815 -0.00051982
4.61750567 13.78704078 5.73199210
-0.00062080 -0.00104142 -0.00095343
-5.34810316 14.98924964 -4.28417483
-0.00013328 -0.00024172 -0.00004799
-4.05532892 13.03072430 -2.31666314
0.00103792 0.00085367 -0.00142557
-2.41317613 6.55201667 4.81262328
0.00012629 0.00013248 -0.00085798
-4.69087116 5.16749594 5.79650332
0.00018675 0.00099253 0.00018101
-5.20910309 6.66038862 15.39257000
-0.00004004 -0.00032444 0.00103073
-6.12793339 4.46875369 17.29109515
0.00073619 0.00065749 -0.00075763
7.94766600 -16.33514887 2.60761386
-0.00013475 0.00007875 -0.00085956
6.97433428 -14.29479387 4.25154923
-0.00073124 -0.00072056 -0.00111518
-24.95793478 0.06419236 -19.25577756
-0.00014584 -0.00122102 0.00065172
-24.72588746 -2.63225715 -19.36565922
-0.00053519 0.00014120 -0.00037069
18.91084779 -15.56103588 -15.09828804
0.00028125 -0.00007455 0.00024245
17.55126968 -13.85916469 -12.77814174
0.00028200 0.00042593 0.00026030
-2.98843013 -32.62484533 7.17701161
0.00023169 0.00025008 -0.00102054
-2.93634242 -35.40516271 8.06684809
0.00062129 0.00020820 0.00053019
-9.27648308 4.32706184 4.99748800
-0.00014942 0.00094890 0.00020847
-8.72328434 7.28317567 5.10519587
-0.00048236 -0.00016439 0.00030637
-26.25715458 8.79556357 1.27141897
-0.00030472 0.00133996 0.00025226
-23.62110670 9.42688216 2.71354990
-0.00060492 0.00000859 0.00007297
7.50761381 -14.98263057 21.52744290
-0.00068892 -0.00018663 -0.00094897
7.20734023 -13.15578001 19.26994443
-0.00041036 -0.00044927 -0.00098689
-11.11658162 -10.19703484 1.56458376
-0.00071512 0.00043297 0.00102605
-9.10267399 -11.53209728 3.20128921
0.00019617 -0.00041629 0.00004887
-8.86109796 -6.07222746 5.36180045
-0.00018615 0.00055967 0.00122778
-8.85336480 -7.68667079 2.95722884
0.00003017 -0.00010284 0.00032261
8.64516951 -9.21638378 1.77912964
0.00117573 0.00024081 0.00027643
8.46599141 -11.95734820 0.36203078
-0.00026492 0.00021601 -0.00085535
-6.50616015 11.45957572 0.32710193
0.00021385 0.00044375 -0.00002785
-6.32692194 8.93973564 -0.84057322
-0.00020447 0.00047501 -0.00071360
0.28354156 5.72176077 0.77966856
-0.00029531 0.00002936 0.00046546
2.37199417 4.32671042 -1.28278251
-0.00028185 -0.00060839 0.00021893
9.00373224 2.13922468 -3.06385364
-0.00002842 0.00030295 0.00000023
7.63642516 4.21767221 -4.87641945
0.00081398 0.00058004 0.00007207
-9.74838443 0.83126383 -13.88675566
0.00105068 0.00041054 -0.00012529
-10.65855939 -0.61408416 -11.58061019
0.00001319 0.00090812 0.00088885
1.84127394 -1.51597134 -7.82372936
-0.00039043 -0.00063989 -0.00104696
1.90890003 1.48510946 -8.36749082
0.00047290 0.00017782 0.00041278
-19.00363814 -4.84385154 -13.13399495
-0.00083744 0.00006778 0.00100260
-17.73277364 -7.46577853 -13.94446964
0.00036118 0.00036965 0.00000332
-6.30854299 18.49345563 -12.74420074
-0.00078412 -0.00030092 0.00169618
-8.18729634 20.26593988 -13.87591296
-0.00081940 0.00034906 -0.00011710
-13.08349948 -12.27512919 9.51831107
0.00041086 -0.00005365 -0.00028041
-14.45831626 -10.47548588 7.64688605
0.00041186 0.00028504 0.00041409
-0.80675860 -8.06192387 -24.82117917
0.00058914 -0.00006681 0.00021017
1.39208429 -6.78781739 -23.10646705
0.00074175 -0.00065429 0.00018951
-11.75393329 -8.53580977 10.38399494
0.00029835 0.00055214 -0.00043010
-9.54375902 -6.79361957 10.48252042
0.00143879 -0.00056250 -0.00052986
-0.55901303 -0.83819289 -0.06905699
0.00058619 0.00032039 0.00047401
0.26687908 1.14345930 -2.26664756
0.00112851 -0.00038087 -0.00009713
5.07409238 -4.88597891 -0.61309068
-0.00099774 0.00041344 -0.00031786
3.48453577 -2.92328578 1.16668903
0.00042612 0.00081026 -0.00048976
-2.13443334 -9.11107005 10.89023961
0.00018568 -0.00039623 -0.00110714
-3.02533037 -7.14454310 12.99287188
-0.00037509 -0.00161237 0.00049630
0.70542699 -9.56235170 14.21006663
-0.00082051 0.00051863 -0.00000802
1.34848929 -11.20956551 16.47642774
0.00019372 -0.00043906 0.00071324
-18.75824577 -0.04170142 10.04778789
-0.00055031 -0.00023179 0.00003111
-15.72120502 -0.55979055 10.93312448
-0.00042117 0.00056990 0.00064038
-12.14790602 -4.23308626 22.59527889
-0.00085629 0.00065027 0.00020897
-10.07102021 -3.96731225 24.70267925
-0.00067193 0.00055522 0.00063353
7.71712951 3.41665498 9.79738895
-0.00066566 0.00080908 -0.00024915
7.94154524 5.55710475 7.44505091
0.00038130 -0.00081169 -0.00006793
11.69587741 6.95770672 -0.30907727
-0.00041622 0.00085635 -0.00013512
9.84024414 4.57934714 0.07737565
0.00004525 0.00042738 -0.00074467