First atomset in PBE400 file s0014/md073.r
-0.31581483 -10.11493252 -7.79940007
-0.00017251 -0.00026898 0.00008501
-9.38451605 -14.51174795 5.71459868
-0.00028904 0.00010518 -0.00017635
-19.41307201 15.20017505 1.60817234
0.00007424 -0.00026347 0.00000221
-9.75059307 16.59841778 26.76875737
0.00024610 -0.00001167 -0.00016959
-6.57152085 -15.34635548 1.80585529
-0.00029923 -0.00011929 -0.00020584
8.84998949 -4.82261505 -22.09909786
-0.00014499 -0.00027185 -0.00015548
21.40771494 -10.32030055 5.13011839
0.00029134 0.00004856 -0.00014873
-20.65729754 14.74076633 6.47435046
0.00025567 -0.00003553 -0.00007373
11.32308216 -17.31312742 -6.24124889
-0.00016162 -0.00000789 -0.00008575
-12.55618815 5.02484151 5.59724388
-0.00014502 0.00011328 0.00013162
-0.52808084 4.90191797 12.10796028
0.00045918 -0.00015989 -0.00014146
8.81621416 -2.28823230 -16.05188180
0.00018196 -0.00000569 -0.00006536
8.40631211 -1.42006679 -5.24663429
0.00019089 -0.00004118 -0.00020803
-1.31373894 3.13526299 4.63475792
-0.00004979 0.00003930 0.00030659
-3.13384807 -1.85044780 12.89424836
0.00009724 0.00000333 0.00005024
10.01555896 25.09187390 -22.30557248
0.00022462 -0.00007669 -0.00009304
16.94662757 -15.05606631 10.82507038
0.00013330 -0.00007575 0.00029489
20.44844215 -1.14230726 -22.21911914
0.00002047 0.00006127 0.00009842
-17.55884984 6.98575741 16.82420317
-0.00017463 -0.00016305 0.00009665
-16.64444307 8.42490910 -21.30493711
-0.00035145 -0.00000744 -0.00010273
-3.29345693 25.45371616 -13.70462027
0.00005114 0.00009409 -0.00004690
3.62892398 -7.57069702 -9.10150852
-0.00013021 0.00005778 -0.00020312
19.44431524 1.88533420 -3.66336783
0.00008760 -0.00025027 0.00009173
-8.10375401 3.68606111 -11.48467249
0.00001843 0.00003239 0.00017945
10.53352781 -13.83291500 21.70523469
0.00024325 0.00000645 0.00061698
6.66149180 5.63489121 8.26640773
-0.00007477 0.00000766 -0.00041838
-10.73502823 0.44678889 7.40201471
0.00006876 -0.00004398 -0.00027830
20.55534239 -6.47033777 -2.38341204
-0.00038958 0.00000320 0.00048048
18.62388170 17.17606559 5.98088238
-0.00020651 0.00014236 0.00023843
-9.50215913 -1.48661775 1.32998266
0.00008859 -0.00013908 -0.00016322
0.61718674 -25.86081390 -3.29023601
-0.00002643 -0.00002259 -0.00006029
-9.89587903 -26.42847709 17.58622660
0.00016619 -0.00018078 -0.00004022
-16.84164203 -10.76290952 -2.07776061
-0.00013816 -0.00046253 -0.00007984
-0.81644189 12.81286383 23.42791356
0.00041042 0.00026702 -0.00027827
11.72839777 -7.38169235 -8.71339770
-0.00025843 -0.00007549 -0.00019506
2.42341006 2.29110557 -2.44600181
-0.00008854 -0.00009879 -0.00018694
-16.54434445 10.84048907 -12.95732753
-0.00005084 0.00019686 0.00034087
-8.09240197 -19.27010768 -24.74932944
0.00035489 0.00027841 -0.00034480
-2.76177182 8.22660887 6.79698126
-0.00004554 0.00038534 -0.00010440
-6.88492854 0.44788624 15.59085179
0.00010659 -0.00002473 0.00029894
10.48793393 4.56286045 12.44032039
-0.00011088 -0.00001789 0.00026125
24.28797282 -13.71280128 19.55216281
-0.00016694 -0.00005014 0.00005619
4.62918474 20.57833028 0.51927456
-0.00002693 0.00008134 -0.00015733
-4.91074842 15.71550214 -6.80023337
-0.00008301 -0.00030829 -0.00000949
7.29528030 -29.87933508 -5.93745674
0.00018148 -0.00011144 0.00017309
5.97436653 -7.36825261 10.20585367
0.00045884 0.00002927 0.00027192
-0.57293287 5.07388154 -5.93846664
-0.00019486 -0.00004430 0.00024940
-6.74430760 -3.91272916 -13.33757798
-0.00047196 -0.00000070 -0.00001782
0.44497683 9.52778485 12.08358786
-0.00022112 -0.00031761 -0.00025969
28.84542310 0.10523028 4.47237113
-0.00014023 0.00014180 0.00015038
-20.78150271 27.99168966 2.24674462
-0.00022089 -0.00023859 -0.00003718
11.56771383 -6.03387235 9.60654131
-0.00008481 0.00046564 0.00000634
-7.24147884 7.63231933 -6.52821442
-0.00007386 0.00031078 0.00033391
-0.29213542 20.05488389 -16.61684757
0.00013385 -0.00033702 -0.00018118
2.41746251 8.33333841 6.42567255
0.00026315 0.00004396 0.00018699
8.57842501 -23.83905972 12.70570933
0.00030592 0.00011089 -0.00021294
-15.58991768 26.69832818 -3.06825574
-0.00001159 -0.00022346 -0.00020661
1.17090055 -3.58244601 -8.62910091
-0.00022639 -0.00016757 0.00000898
-20.65549896 0.54079728 -11.50512804
-0.00009967 -0.00024195 -0.00055705
15.46594234 12.13236815 14.19545463
0.00005872 0.00001321 0.00009099
-14.38121417 10.31834292 14.98918239
-0.00034385 0.00022516 -0.00021715
14.44059670 -7.01390684 -1.81913849
0.00022752 -0.00006892 -0.00011560
-7.58715433 11.50942877 -2.48337060
0.00002601 0.00010424 0.00007063
-13.10074700 -10.82172033 -16.27941249
-0.00017355 0.00014481 0.00005163
-0.39786323 -11.43529848 -9.11230529
0.00052662 0.00054868 0.00037242
-2.08695004 -9.40044773 -7.77915173
0.00089806 -0.00048044 -0.00038450
-10.80607290 -15.78853005 5.63839907
0.00100565 0.00004654 0.00050176
-8.56840391 -14.53954951 7.40039355
-0.00058965 0.00000922 -0.00076252
-19.03816090 16.87439766 0.96591595
-0.00049674 0.00034575 0.00015281
-17.89227558 14.19072005 1.15414471
-0.00095296 0.00100881 -0.00054497
-10.07672541 14.92032076 27.37177005
0.00025992 -0.00019804 0.00120103
-9.51953834 16.57936936 24.85604317
-0.00046726 -0.00013324 -0.00025666
-5.28976790 -16.53711212 2.30076359
0.00041038 0.00036131 0.00032935
-7.41438842 -14.95764424 3.40742883
-0.00053409 -0.00094619 -0.00054834
9.47418885 -4.64510963 -20.21242700
0.00036589 -0.00067912 0.00087413
10.34245542 -5.42167133 -22.98977438
0.00032105 0.00158305 -0.00018393
23.23343954 -10.08407317 5.35175443
0.00060942 -0.00011567 0.00048457
21.31736157 -10.86930956 3.35937313
-0.00043669 0.00073462 0.00011758
-19.80869687 14.91535829 4.81438207
0.00008512 0.00055645 -0.00049196
-21.21894499 16.42210063 6.74846552
0.00026195 -0.00091409 -0.00014207
13.08571127 -16.84149402 -5.78320734
0.00023385 0.00041584 0.00031244
10.91361874 -18.75774604 -5.03473575
0.00070146 -0.00004402 0.00023313
-14.22687904 5.61340672 6.59152322
-0.00022331 0.00047214 0.00002612
-13.14959722 4.46354305 3.98505176
-0.00074361 0.00029057 0.00019903
-1.88949274 3.86465635 11.19722720
0.00085113 -0.00033406 -0.00089568
0.80798914 3.49364081 12.16561584
-0.00006348 -0.00049683 -0.00012645
7.70722750 -1.56662379 -17.36342873
-0.00023531 0.00051977 0.00085469
10.46591446 -1.21047083 -15.90536608
-0.00003697 -0.00007244 -0.00033699
7.47162598 -3.06529017 -5.00323289
-0.00095382 0.00034813 -0.00059113
8.23814409 -0.20040350 -3.92512412
-0.00002192 -0.00031326 -0.00146073
-1.93426844 4.52052340 5.51026398
-0.00023343 -0.00071114 0.00034553
0.36578009 3.79734603 3.96638832
0.00041164 0.00012424 0.00086081
-1.50663966 -2.75003158 13.32137682
-0.00067346 -0.00026536 0.00003450
-2.60641914 -0.80348480 11.50053014
0.00016704 0.00073908 0.00048801
11.55826824 24.02675096 -22.54748406
-0.00027771 -0.00069786 -0.00045724
8.59724002 23.91522996 -22.05752527
0.00071478 0.00043166 -0.00003460
16.67826818 -14.15443049 12.26965160
-0.00098856 -0.00024059 -0.00007524
16.39692998 -16.71974369 11.34160084
-0.00009161 -0.00056473 -0.00145152
20.17086014 -0.15165501 -23.84258513
0.00005689 0.00057709 0.00080986
20.75214127 0.03014165 -20.83020717
-0.00053945 0.00082153 0.00048530
-16.31626542 5.70896980 16.38702224
-0.00088120 0.00064325 0.00008266
-18.85267859 5.94871437 17.55136900
0.00070254 0.00080646 0.00054272
-16.31685559 9.65532503 -19.93556946
-0.00029601 0.00054684 0.00002876
-15.08290276 8.38566211 -22.41927604
-0.00105417 -0.00037774 0.00011936
-5.21975228 25.36000047 -13.58514721
-0.00093027 0.00012020 0.00118409
-2.74144747 24.77351519 -15.36250815
0.00046665 -0.00080555 0.00119773
4.44504745 -7.62303136 -10.83749596
-0.00028711 0.00051040 0.00067638
2.33343753 -8.78111815 -8.80908147
0.00052670 0.00084183 -0.00106671
18.12963378 3.24825952 -3.15683424
0.00059810 -0.00003940 0.00019178
18.60392155 1.19485031 -5.27638928
0.00054252 -0.00060265 0.00045789
-10.11248137 3.80505772 -11.43672795
0.00014863 0.00018340 -0.00054467
-7.54423738 2.63543428 -10.04345012
0.00009143 -0.00001062 -0.00007169
12.28628392 -13.40821683 21.52742403
-0.00025517 0.00124864 0.00040866
10.24287487 -15.06126496 20.25657462
0.00104171 0.00057448 0.00011990
5.09969578 6.49380946 7.53414805
0.00014358 -0.00018071 0.00052522
6.99775691 6.88231348 9.58317069
0.00037674 -0.00009126 -0.00024247
-11.47285552 2.04924766 6.64291539
-0.00010471 0.00033863 0.00017971
-9.42858118 0.87425260 8.66018743
0.00039330 0.00091944 0.00103029
19.21516425 -6.21474418 -1.12929643
-0.00107863 0.00090844 0.00113770
21.68099197 -7.60780445 -1.41062447
-0.00110317 -0.00024005 0.00072109
16.89148715 16.57899434 5.23601304
0.00098409 -0.00122366 -0.00004080
19.82158767 15.63321217 5.74885578
0.00137780 -0.00038518 0.00052231
-7.55282475 -1.72621731 1.13307947
-0.00002279 -0.00020550 0.00067936
-9.94670893 -1.71973515 2.93278564
-0.00015095 0.00034770 -0.00068386
0.42650792 -25.98601097 -5.17285609
-0.00071760 -0.00016361 0.00069183
-1.05991080 -26.59204943 -2.71948167
0.00066812 0.00044039 -0.00014646
-11.57487401 -25.66606175 17.92774421
-0.00038504 0.00017641 0.00029985
-10.07515387 -27.66909831 16.22624587
0.00049425 -0.00054735 -0.00082199
-15.40521494 -11.95990512 -2.26236467
-0.00042314 0.00052274 0.00060180
-18.21573114 -11.84824970 -2.78684744
-0.00010756 -0.00057246 0.00003374
0.88445375 13.60485584 23.91993850
-0.00010482 0.00005241 -0.00120863
-0.16135812 11.51512405 22.21547834
-0.00016460 -0.00113849 0.00052185
11.59706196 -6.66192998 -10.44295149
0.00029572 -0.00013483 -0.00037720
10.40120983 -6.68729396 -7.61066403
0.00046759 0.00034960 -0.00023881
1.46648724 0.58355905 -2.79969434
-0.00175743 0.00057276 -0.00009210
1.64684299 3.44592306 -3.75612556
0.00098253 -0.00001332 -0.00018147
-15.26947577 11.15276448 -14.40855733
0.00027176 -0.00073472 0.00046817
-15.56792271 10.81054511 -11.30705883
-0.00041117 -0.00014752 0.00058148
-7.69660788 -17.94613911 -23.62508355
-0.00039071 -0.00004535 0.00040192
-8.86223668 -20.57342201 -23.66763554
0.00032829 0.00012664 -0.00007013
-4.05970019 8.04536847 7.99730788
0.00038541 -0.00004739 0.00016059
-2.98550988 10.11045982 6.09723485
-0.00023142 0.00066473 -0.00038403
-5.79857483 -0.59496073 14.55331122
0.00015735 0.00037344 0.00016117
-8.05947535 -0.73118027 16.39145549
0.00049396 0.00047454 -0.00009005
10.67827572 4.86812014 14.31903272
-0.00034920 -0.00001762 -0.00097767
9.72701320 2.81727396 12.18446933
-0.00074837 0.00045588 0.00016278
23.85375879 -15.46028801 18.79044615
-0.00011286 -0.00114940 0.00035057
23.89467248 -12.61404384 18.11261467
-0.00036056 0.00033429 -0.00007883
3.32460999 20.65129206 -0.93620856
0.00049953 -0.00051496 -0.00008480
6.08823708 19.91276419 -0.32862601
-0.00054846 -0.00007145 0.00025520
-5.15035788 17.30865970 -7.48767778
-0.00122568 0.00003260 -0.00055229
-4.31418785 16.03363149 -4.98586976
-0.00029454 0.00073275 0.00082403
7.18772853 -31.07143921 -4.50290011
0.00056138 0.00017611 -0.00044317
5.86157119 -30.67455899 -7.04629092
-0.00028936 -0.00046991 -0.00025621
6.98834282 -8.91332224 10.49011896
0.00054961 -0.00001140 -0.00028300
4.91644548 -7.80001007 8.66494199
-0.00165960 0.00010745 -0.00122627
-0.67652758 4.65516893 -7.81225769
0.00031466 -0.00031390 0.00046781
-1.96685206 4.15640333 -5.23357352
0.00121810 0.00085873 -0.00019965
-5.39299070 -3.34408923 -12.06179100
0.00047791 0.00023404 -0.00085872
-5.91147256 -4.79988923 -14.74023623
0.00016489 -0.00036662 0.00051851
2.28907175 9.52646283 11.74970640
0.00033111 0.00027972 0.00071084
0.01043813 7.72766916 12.18084834
-0.00011356 -0.00120369 0.00062916
28.06449873 -0.84387263 3.09204823
-0.00008764 0.00080479 -0.00064637
28.77884753 1.89537986 4.15229703
0.00043358 0.00016541 -0.00048288
-19.42849808 29.12090733 2.55949989
0.00109645 -0.00079904 0.00006271
-20.45789313 27.74523348 0.44420562
-0.00001762 0.00043630 -0.00084303
10.36895355 -4.87009256 8.61175167
0.00005100 -0.00027242 0.00041952
13.32831793 -5.44903316 9.39351909
0.00018635 0.00076464 0.00005456
-7.51617009 9.31972355 -7.45574127
0.00009933 0.00047485 0.00028389
-6.20330875 6.62357561 -7.64929883
-0.00009928 -0.00061332 -0.00013421
0.74712751 20.98256681 -17.87144352
0.00087471 0.00021777 0.00050726
-1.86596503 19.53191883 -17.53779070
0.00025387 0.00128955 0.00017892
0.62210156 7.97538117 6.90473944
-0.00037587 0.00026998 0.00032393
2.73560019 9.63255542 7.59319517
-0.00125966 -0.00031145 -0.00028438
8.38693447 -24.65613712 14.25645742
-0.00035286 0.00048925 0.00038851
8.71210686 -25.21671461 11.32426599
0.00009426 0.00103634 -0.00046111
-17.44640606 26.51764507 -2.81047550
0.00067766 0.00010265 -0.00020465
-14.90845392 26.50719101 -1.36553065
-0.00013888 -0.00052476 0.00010817
2.22324170 -5.15308119 -8.72659968
0.00023180 -0.00056849 -0.00008930
2.10010845 -2.12243879 -9.46120801
0.00097686 0.00029922 0.00097099
-20.73196245 -0.33988447 -13.19831351
0.00020720 0.00046769 0.00044126
-18.79685556 0.72355487 -11.45906370
0.00094359 -0.00066556 0.00026166
13.62947927 12.52359039 14.57675389
0.00034492 0.00036900 -0.00037251
16.29696253 13.50978122 15.15366899
0.00062464 -0.00007731 -0.00015605
-13.89296092 11.96611230 15.88197351
-0.00043571 0.00008476 0.00025203
-15.63705936 9.44413978 16.01946031
0.00051091 0.00015642 0.00055406
15.18441859 -8.76125939 -2.28815911
0.00022182 0.00027196 0.00056634
14.34103382 -5.75448090 -3.16430316
-0.00054984 0.00029328 -0.00069627
-6.75295396 10.77537992 -0.80362273
-0.00048468 -0.00007691 0.00007909
-7.27967782 10.14134441 -3.72380836
-0.00017021 0.00006086 -0.00080821
-11.70444944 -11.70638123 -17.02380964
0.00005758 0.00071420 0.00027846
-12.75416880 -9.08000351 -15.79956206
0.00061697 0.00057211 -0.00077000