First atomset in PBE400 file s0010/md059.r
-11.52042967 2.73688481 2.55011476
0.00006338 0.00021315 0.00000038
27.14835930 -6.53473444 -3.45670796
-0.00029099 -0.00006359 0.00004718
2.28346151 4.22928085 14.36188248
-0.00017547 -0.00031190 -0.00001097
-7.91200411 21.81053862 -8.62264820
-0.00010679 -0.00001465 -0.00034177
6.14507367 4.95268701 1.18822355
0.00009472 0.00000793 0.00014022
-4.91484925 14.03395694 -5.98085770
-0.00004873 0.00010291 0.00021055
-3.45858287 -0.73973541 0.12139195
0.00034777 -0.00034847 0.00018042
-13.00857099 -3.68478587 8.07035912
-0.00003150 0.00065044 -0.00005447
-2.66352436 -1.82766739 -6.92660229
-0.00011471 -0.00027006 -0.00032177
-7.60296774 -9.16643449 24.31198974
0.00015996 0.00006172 0.00028756
9.53789261 8.56433788 8.97566950
0.00027495 -0.00005253 0.00013678
-18.84966927 -8.67650938 7.57567695
0.00013819 -0.00010485 -0.00029997
0.05816093 2.02165469 -4.61083316
0.00018761 -0.00030606 0.00000910
-10.51792806 7.15769219 -23.29562898
-0.00000548 0.00018481 -0.00005692
-22.91574655 -1.86649155 7.55617382
0.00011304 0.00004371 -0.00025045
15.89414790 -0.87651924 -2.39008308
0.00016428 -0.00006126 0.00001758
0.71890093 6.82853436 -16.60672829
-0.00003975 0.00039971 0.00017594
8.11180193 0.60345977 9.41245908
0.00035316 0.00007025 0.00019929
3.86591497 11.25540689 -8.80220652
0.00001168 -0.00023480 0.00017813
2.60738293 8.54149071 -0.57261734
0.00037666 0.00001141 0.00005964
24.45497056 18.56491246 3.40280644
-0.00033097 0.00003413 0.00003288
22.84674201 -13.90680919 3.04635514
0.00007296 0.00041111 0.00038555
12.67908286 -4.42285526 -0.72556183
-0.00001473 0.00008181 0.00006166
12.33383297 -14.22641289 -8.22356050
-0.00006759 -0.00016154 -0.00011201
-1.40485671 14.41381301 5.50128550
0.00004380 0.00021301 -0.00039996
-14.43264387 -7.35418446 -12.43418668
0.00008224 -0.00029067 -0.00001261
5.41534231 -16.55855717 -6.03285360
-0.00012222 -0.00016274 0.00020650
-7.20153547 9.57117254 -15.99973552
0.00013615 0.00031553 -0.00017224
-5.76506180 7.22886046 26.20649573
0.00016009 -0.00017774 -0.00010218
4.35363514 9.85251171 -13.68735249
0.00018678 -0.00010153 0.00016670
-7.94246966 -2.95758798 7.54543590
0.00030279 -0.00013687 0.00024472
9.41761952 -4.37944342 3.34457946
-0.00048891 0.00005582 -0.00022770
14.92965600 1.63876545 -12.33506516
-0.00004804 -0.00001075 0.00002420
-1.23734922 -5.67596321 19.30297557
-0.00020425 -0.00032468 -0.00012315
3.80631336 2.37502111 7.42096445
0.00026805 -0.00015836 -0.00014652
-2.90175124 3.29549660 -20.14736901
0.00040263 0.00001692 0.00031872
-1.40634143 11.09030071 -8.34051749
-0.00007854 -0.00010383 0.00005965
-1.18323207 6.59017839 11.41282595
-0.00002965 0.00014512 -0.00011036
-20.85105602 -3.35374430 -9.37897715
-0.00000253 0.00009286 0.00005342
-2.89183981 -5.82075124 0.19503863
-0.00029226 0.00022879 -0.00005878
-6.78528468 -16.68706252 -10.89181987
0.00019997 0.00033316 0.00008606
2.05501139 25.78631403 2.66891624
-0.00011541 -0.00014006 -0.00031514
-13.33995793 -11.52636034 -4.17716395
0.00033657 0.00027226 0.00022789
11.32225330 -3.56053121 -6.69019157
-0.00001009 0.00007835 -0.00024688
-7.60399998 -12.74901801 -3.18227087
-0.00036439 0.00020090 -0.00000894
11.67293158 3.68767967 7.35158549
0.00003720 -0.00000505 0.00041095
5.64905638 -7.42193623 -7.97495769
-0.00014385 -0.00010027 0.00013260
-3.71802799 -10.57937507 -13.07599872
-0.00057392 -0.00017685 0.00041999
5.48580096 23.90413487 -9.78867266
-0.00064767 -0.00011587 0.00003970
7.25752037 22.94835193 -4.77348798
-0.00013368 -0.00002142 0.00026133
3.55235850 -1.41452590 -1.49105833
0.00053393 0.00020954 -0.00026273
-8.65086429 -19.95804208 16.59904998
-0.00021093 -0.00015371 0.00009280
5.21044077 -7.50632985 2.98386332
0.00017296 0.00010819 -0.00020563
-6.48764918 -7.41619810 -10.50708920
0.00000404 -0.00012968 -0.00007563
-10.70591936 -9.84337944 5.19914105
0.00017943 0.00019029 -0.00004986
-0.69919492 6.70601973 18.82104555
0.00000578 -0.00021971 -0.00006957
-3.95310618 0.56350133 8.05860903
0.00009904 -0.00005161 -0.00018994
10.49752827 4.90764567 13.12514892
-0.00008614 -0.00015314 -0.00060337
-14.80027887 9.37231692 3.72489915
0.00008294 -0.00048095 0.00026607
-0.04252786 -5.81308317 -12.91814338
-0.00023098 0.00006015 -0.00021305
29.02564338 -11.16150554 -1.79867731
0.00001092 -0.00005475 0.00006338
-5.56698367 5.90421405 -3.66348827
0.00042640 0.00022903 -0.00011331
-11.52927750 -11.26058327 10.90534862
-0.00018302 0.00013438 0.00020260
8.77668616 4.18346463 -3.25373135
0.00008697 -0.00021732 -0.00006029
-13.01355783 1.84361433 2.01058063
0.00016077 -0.00040537 -0.00071791
-11.72713690 2.77157210 4.55412097
-0.00005600 -0.00054836 -0.00111221
25.34196887 -6.25327130 -3.73551401
-0.00041408 -0.00123432 0.00031678
27.88708348 -6.76718540 -5.22689380
0.00034713 0.00002769 -0.00051522
1.57721922 3.47537053 15.96555790
0.00012726 0.00043011 0.00042360
3.45819487 2.85465329 13.95521654
0.00030980 0.00019389 -0.00040817
-9.22516363 21.36387761 -7.39830988
-0.00036972 0.00102555 0.00137329
-8.47734803 22.69486829 -10.12145230
-0.00158183 0.00085826 0.00067827
6.99701489 4.84600776 -0.55924417
-0.00077524 0.00029714 0.00020052
4.88303948 6.22190259 0.77182150
-0.00172290 0.00092487 0.00047600
-3.65596541 15.03376227 -4.91572117
0.00039087 -0.00057802 0.00074185
-6.37140084 13.42396981 -4.99737377
0.00110913 0.00052572 0.00023477
-2.07440749 0.14947313 -0.76186522
0.00044310 -0.00054889 -0.00066913
-4.89968545 -0.81737936 -1.09045786
-0.00032340 -0.00057521 -0.00000911
-13.26641101 -4.15702287 6.31946588
-0.00107116 -0.00072792 -0.00007598
-11.15348537 -3.02453976 8.11769590
0.00046274 0.00049890 0.00024940
-4.60183565 -1.77998957 -7.39182600
0.00022588 0.00017226 0.00046933
-2.08287389 -2.90596871 -8.23051741
-0.00026408 -0.00049225 0.00002023
-8.15042766 -9.63253818 25.99196961
0.00089055 -0.00019864 -0.00051497
-5.88111282 -8.29673471 24.25468146
0.00141773 0.00001500 0.00109227
10.45096879 10.19572471 9.74954464
-0.00032102 0.00087757 -0.00068278
9.81223201 7.32244679 10.35146885
0.00082963 0.00091993 -0.00059276
-18.87036377 -10.28417462 8.41766765
-0.00046956 0.00000067 0.00066678
-20.71320901 -8.11955460 7.74051050
0.00052279 0.00050625 -0.00035399
-0.20968503 4.04928694 -4.70872339
0.00040002 0.00002291 -0.00056900
-1.22672529 1.08212610 -5.56844288
0.00103611 0.00069111 -0.00057797
-11.11686658 5.61230281 -22.17888717
0.00029221 0.00082350 0.00029542
-11.85839067 8.30171941 -22.74834782
0.00015603 0.00019587 0.00037428
-21.84292863 -0.31017297 7.89098656
-0.00080867 0.00003341 0.00021351
-22.34784556 -2.83772948 6.09617904
-0.00063445 0.00018250 -0.00078886
14.51611555 -2.05340753 -1.84037281
0.00018162 -0.00005494 -0.00055962
15.11963258 0.61952276 -3.09398505
0.00059200 -0.00027229 0.00021994
-0.19690718 6.46712719 -14.98251232
-0.00004685 0.00054784 -0.00038655
1.79268346 5.26112759 -16.79466268
-0.00046770 0.00004290 -0.00029095
8.75205383 -1.05438227 8.86332694
0.00104909 0.00038396 0.00009947
7.46826157 0.57823581 11.14863458
-0.00034146 0.00039735 0.00038099
3.96072471 10.62590156 -10.67864270
0.00041701 -0.00028181 -0.00099931
2.19751376 12.02226778 -8.40302901
0.00051376 -0.00010463 -0.00058000
1.92009757 7.50050618 -1.97349090
0.00000193 0.00051554 0.00092092
1.28534364 8.75521712 0.91940387
0.00070468 -0.00025230 -0.00018321
23.72928984 16.97178217 4.33188326
0.00053681 0.00002229 -0.00029201
26.14159668 17.65384289 2.79168219
-0.00034554 -0.00041314 0.00050556
23.26577745 -15.07050119 4.49051869
0.00034540 -0.00078270 -0.00016008
20.96353204 -14.32430800 2.74672210
0.00025676 -0.00003221 -0.00067486
11.83141664 -5.06452281 -2.36295018
-0.00111878 0.00060217 0.00006042
13.92153522 -5.73202393 -0.19909102
-0.00067658 -0.00024790 -0.00078331
11.92614846 -12.92534744 -9.65877878
-0.00060950 0.00036157 -0.00019040
11.76167755 -13.37476249 -6.76573716
0.00021527 0.00026383 -0.00050627
-2.50551180 14.06917588 7.00386570
-0.00005821 0.00003271 -0.00094558
-0.93430804 12.57528127 5.15155239
-0.00005508 -0.00054156 0.00035360
-15.82836855 -7.86645945 -13.64287791
-0.00096032 0.00052210 0.00036674
-13.43375941 -6.00307870 -13.40372512
-0.00062379 0.00067361 -0.00007382
5.14253227 -14.71833401 -6.25081603
0.00025635 -0.00061800 -0.00017742
4.13508618 -17.36919167 -7.08528533
-0.00017583 -0.00012249 0.00043075
-6.78682303 7.99693726 -15.11317770
0.00037744 0.00085582 0.00009775
-6.56502053 9.40723505 -17.73915165
-0.00000768 -0.00014023 0.00048418
-7.19697298 7.30853156 25.09819333
0.00015278 -0.00005012 -0.00139418
-4.58965704 5.77409738 26.02798991
-0.00072097 -0.00001684 -0.00030726
2.80970514 8.98343976 -14.22994861
-0.00006659 -0.00046528 0.00082843
6.07324880 8.95826492 -14.41654599
-0.00112204 0.00024224 0.00008529
-6.62518854 -1.50929710 7.69181431
-0.00080110 0.00019451 0.00039946
-7.19486775 -4.24057716 6.37690807
0.00090480 0.00021897 -0.00020196
10.31752272 -4.50444671 1.69498216
-0.00006990 -0.00025355 -0.00041353
7.94361442 -5.45973091 3.22601943
-0.00007384 -0.00007583 -0.00098768
16.31805200 1.49496680 -13.49652743
0.00043855 0.00028941 -0.00008404
13.71073268 2.82586151 -13.21651850
-0.00064375 0.00076924 0.00024783
-1.96736161 -4.08854801 18.50897095
-0.00049024 0.00002951 0.00047773
-1.88786192 -5.69121640 21.10776720
-0.00005067 -0.00012684 0.00085165
5.58077717 1.71463604 7.93857814
-0.00070950 -0.00031404 0.00087445
3.87554022 2.89688216 5.53007593
0.00054450 0.00021167 0.00048764
-3.54302883 1.89466067 -21.09094162
-0.00013184 0.00046290 -0.00078872
-1.25025322 3.53899761 -20.96805834
-0.00037942 0.00014570 0.00083461
-1.65210443 11.01999628 -10.21145930
-0.00050991 0.00087404 0.00019167
-2.47058419 12.32357189 -7.32567426
0.00000499 -0.00015595 0.00117412
-2.76741625 6.75198692 12.26223773
0.00050422 -0.00056715 -0.00032677
0.16295022 5.92950395 12.73835457
-0.00039723 -0.00001285 -0.00037494
-21.91850812 -4.02959325 -10.74642867
0.00051959 0.00027211 -0.00041645
-20.06999198 -4.82562114 -8.64431412
-0.00003177 -0.00043612 0.00010139
-1.53691267 -6.09900112 1.51966497
-0.00079548 -0.00071993 -0.00014748
-2.84986244 -3.95560814 0.57907838
-0.00010849 -0.00095181 -0.00108428
-7.01040849 -15.71037223 -9.34521149
-0.00062529 -0.00059119 0.00034264
-7.66946215 -18.28480767 -10.76860166
0.00024588 -0.00025333 -0.00051098
3.54458573 26.69995743 1.94175897
0.00035529 -0.00017732 0.00043745
2.31028714 24.21652446 1.81294872
-0.00157634 -0.00016317 -0.00071015
-15.16542092 -11.55250111 -3.57465772
-0.00078990 0.00062142 0.00100881
-13.27801902 -10.13693445 -5.41172733
0.00029449 -0.00081885 0.00027076
10.62131198 -4.23507440 -8.28028002
-0.00066352 -0.00096608 -0.00044484
9.74645042 -2.83971139 -5.91566631
-0.00011999 -0.00050979 -0.00090224
-7.37417893 -11.83267208 -1.59312337
-0.00095775 -0.00020836 -0.00035855
-9.32091897 -13.06122660 -3.40683078
-0.00033937 0.00031548 0.00058239
11.49303379 5.48651803 7.24828761
-0.00034931 0.00063786 0.00126127
10.36767428 3.08352109 8.56444807
0.00009352 -0.00006912 -0.00042051
6.71425554 -6.75155929 -9.27675744
0.00016699 -0.00136445 -0.00088582
5.43649497 -9.12532947 -8.19748971
0.00035435 0.00031444 0.00124188
-4.94444306 -9.43328454 -12.33514848
-0.00051974 0.00040348 0.00090279
-4.71266738 -12.01106655 -13.84064219
0.00091944 0.00087283 -0.00072284
4.34951555 22.39688062 -9.50955523
-0.00065123 0.00017546 -0.00037044
6.21539496 23.89024077 -8.06303006
-0.00001872 -0.00087644 -0.00065235
7.85622323 24.57531939 -4.57566746
0.00019099 0.00122572 -0.00058624
5.74289947 23.06382165 -3.69053510
0.00086186 -0.00070344 -0.00056593
2.23177032 -0.55510596 -2.53538296
0.00012268 0.00067043 -0.00088896
3.49010324 -3.18085651 -2.08348194
-0.00030550 -0.00067468 0.00071267
-8.54817954 -21.85616833 16.58577415
0.00077739 0.00020926 0.00045514
-10.30271610 -19.19322494 16.05040875
-0.00016849 -0.00076319 -0.00071456
5.09622186 -8.08918973 4.70011275
-0.00063740 -0.00042721 -0.00058170
5.73749366 -8.63336147 1.54588695
-0.00003941 0.00082532 0.00082537
-6.79358041 -5.53890225 -10.60188286
-0.00030727 -0.00108064 -0.00044104
-6.02727485 -8.06458788 -8.79184914
0.00047565 0.00001273 -0.00149332
-11.28079203 -11.58922383 5.59739100
0.00063890 -0.00006416 0.00038181
-12.31259961 -8.97647500 4.63463263
0.00076569 -0.00034189 0.00019442
-0.84089537 7.97156468 17.48920956
-0.00039085 0.00008244 0.00041424
-2.44444669 6.41966960 19.43744626
-0.00048081 -0.00019429 -0.00075134
-2.27624425 -0.19431399 7.61546513
-0.00003949 0.00050841 -0.00003076
-4.20425493 2.02407202 6.93181408
0.00025334 -0.00003112 -0.00024846
8.89123313 4.44612026 13.89485794
-0.00033690 0.00011273 0.00053619
11.10343849 6.42823960 14.26923073
-0.00026845 -0.00052347 -0.00030429
-14.54143989 8.47971742 5.36381976
0.00050124 0.00099243 -0.00042798
-15.55206744 8.10126545 2.50114163
-0.00076668 0.00062542 0.00016744
-0.20810957 -4.15855395 -14.20961587
0.00031290 -0.00081457 0.00036065
-1.61953727 -6.76973146 -12.85674301
0.00001536 0.00034874 0.00014034
28.32146217 -9.53443751 -2.33287710
0.00081591 0.00038116 0.00121500
27.59473361 -12.44424982 -1.59008126
-0.00083030 0.00009394 0.00007321
-6.24224681 7.38949397 -2.69111953
0.00068967 -0.00042405 -0.00012162
-7.01560268 5.17331381 -4.61271924
0.00014788 0.00034766 0.00046142
-12.40354127 -9.56184490 10.81627820
-0.00055644 -0.00011487 0.00037321
-10.01264160 -11.24011482 10.01796045
0.00048372 0.00021356 0.00085004
7.57773385 5.38872202 -4.33478621
-0.00066431 -0.00005143 0.00149127
10.29707828 5.12870212 -2.98415631
-0.00065621 -0.00055496 -0.00040912