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H 16.932225 22.001764 6.959084
H 16.130026 11.303916 21.668583
H 16.721081 12.666120 21.373713
H 9.677051 19.193640 6.178997
H 8.710473 18.238902 6.846901
H 19.215387 17.917876 6.306372
H 20.274167 17.585481 7.336127
H 15.368596 12.063919 14.644654
H 14.636114 12.886481 13.606021
H 17.982598 10.874400 6.473622
H 16.738844 10.726430 5.623283
H 14.241899 13.565624 5.376963
H 14.881545 12.256342 4.966440
H 17.174337 14.051084 6.444881
H 17.934575 14.484882 5.209667
H 15.228820 14.669465 21.077359
H 16.606651 14.436071 20.495117
H 13.692398 14.480581 1.057487
H 13.351880 13.401138 0.052128
H 21.873608 17.125613 4.819958
H 23.277881 16.952737 4.281418
H 20.681482 5.490294 10.413739
H 20.172046 4.070250 10.539613
H 13.134410 15.207264 8.029662
H 14.531910 14.678704 7.785707
H 17.749426 19.968793 6.088132
H 17.220054 18.734620 5.389220
H 18.734047 19.863187 24.495426
H 18.530889 21.141531 23.710277
H 6.397493 17.456248 6.914587
H 6.676530 18.928718 7.128753
H 0.668510 20.307284 -0.600347
H 0.577832 18.963130 0.090249
H 16.637793 6.668307 12.445582
H 15.601462 7.623544 12.998245
H 13.963919 23.469485 13.953102
H 14.134348 22.767784 12.622513
H 14.537633 16.308506 9.899697
H 14.961436 16.188666 11.348119
H 10.770820 21.544790 5.830715
H 10.778139 22.989310 5.377719
H 21.113617 12.282839 19.158688
H 22.279471 12.696604 20.031315
H 16.629088 17.766488 23.774093
H 17.103167 17.146409 25.071261
H 1.993557 15.055134 2.540220
H 2.681181 13.728189 2.781643
H 16.224747 18.633799 9.008952
H 17.346180 18.080897 8.155382
H 17.345427 17.444145 3.341633
H 16.037919 18.167602 3.098885
H 20.757391 19.925305 4.954704
H 22.157593 20.496576 5.025263
H 4.267897 19.105536 5.988769
H 3.227169 20.187987 6.181331
H 17.587100 13.191833 0.768022
H 17.095740 12.268652 -0.326600
H 16.833444 12.075917 12.593134
H 17.352833 12.249017 11.181693
H 22.099202 24.147511 3.241802
H 23.323977 23.257877 3.261044
H 15.961828 17.159302 5.058879
H 15.918217 15.997913 6.029018
H 9.447508 0.136272 8.990751
H 10.367077 -0.507187 10.006746
H 13.542413 2.649468 10.365121
H 14.779386 2.534431 11.230314
H 9.882133 17.846692 22.707788
H 11.319158 17.449980 22.444210
H 9.649192 16.259590 24.698368
H 8.269729 16.253731 24.074714
H 17.828716 21.896087 5.054845
H 18.918148 21.986397 6.102164
H 16.814812 14.324718 23.091096
H 17.004428 15.357514 24.181634
H 2.576622 22.408454 10.161681
H 3.249898 23.007245 11.378252
H 15.440190 17.121414 20.528246
H 15.465222 18.604117 20.832974
H 11.316048 19.676980 15.265879
H 12.195937 18.533529 15.724368
H -0.045874 21.357290 6.875969
H 1.219079 21.743771 7.612461
H 19.478729 14.651732 0.736926
H 19.759912 13.164258 0.752832
H 19.210146 1.282828 23.939563
H 19.717428 -0.073414 24.381343
H 19.761861 17.224598 9.779648
H 21.243354 17.458175 9.573459
H 15.172794 17.295667 1.020346
H 14.857213 18.774798 0.953455
H 21.703783 17.409426 2.437082
H 21.808810 15.986477 1.931039
H 14.298608 18.737090 6.781673
H 13.488333 19.959956 7.155769
H 22.737441 14.556945 6.574717
H 23.584066 13.974177 7.686248
H 23.671138 1.689884 7.828801
H 22.958565 1.533917 6.502223
H 18.997772 17.088459 1.951600
H 18.290629 15.844251 2.445352
H 19.346417 -0.124341 6.224020
H 18.430804 0.424212 7.297630
H 6.670499 12.130769 22.702983
H 7.585446 12.593146 23.816973
H 17.523889 15.976585 18.573726
H 17.684430 14.487125 18.355485
H 21.175377 21.004529 22.266291
H 20.038621 21.746168 21.595729
H 21.020374 19.397635 21.018431
H 21.580939 18.411008 22.020543
H 10.604271 14.801464 13.670555
H 11.357678 15.728209 14.600833
H 17.660673 21.410815 11.955697
H 16.642839 21.913468 12.957320
H 21.619363 4.920328 18.261043
H 22.430515 4.379799 17.102701
H 1.173313 8.799827 0.505480
H 1.205730 7.385849 1.045399
H 18.084181 12.308209 17.208672
H 19.262689 13.250681 17.087185
H 5.876635 23.253440 10.887023
H 4.923177 24.350139 10.462683
H 12.019486 21.440952 10.454525
H 13.371902 20.761838 10.413659
H 13.980696 22.989154 16.623580
H 15.103110 23.942500 16.974597
H 20.398680 1.081947 18.653464
H 20.755664 1.951330 19.840322
H 20.460393 10.653977 3.777029
H 20.268666 10.873007 5.262680
H -0.324176 15.103846 1.577354
H 0.704501 14.158169 0.994762
H 22.296487 21.105260 12.693534
H 20.804767 20.855869 12.760393
H 9.526136 19.374190 19.036542
H 10.106606 19.292096 20.432325
H 23.970514 15.052360 10.517419
H 22.594970 15.067207 9.885317
H 13.600377 15.465104 15.912708
H 13.833849 16.178053 14.597760
H 11.481112 15.486153 18.629985
H 12.570816 14.442276 18.508488
H 19.627940 22.324922 11.498014
H 19.345679 21.067855 10.703026
H 18.109191 17.839737 10.550958
H 17.971142 16.645867 11.471564
H 20.890038 15.397529 12.687371
H 21.790156 16.180239 11.755143
H 18.374289 17.315704 17.170194
H 17.306664 18.220144 17.748175
H 16.123479 16.113529 13.754824
H 15.832088 17.598786 13.786398
H 20.442640 20.382757 15.557691
H 21.157923 21.712179 15.444109
H 25.010947 17.921359 8.135787
H 23.837868 17.174685 7.537239
H 20.658329 16.795637 16.325137
H 21.991780 17.511446 16.287473
H 20.016371 19.068068 13.333124
H 19.130237 18.086328 12.596341
H 20.996244 23.035324 6.125497
H 20.191759 23.441855 4.909178
H 14.566096 23.290243 24.419658
H 15.026868 23.422369 22.983647
H 23.494731 16.788868 19.971094
H 24.000344 15.790234 18.951790
H 16.667725 20.550651 17.954191
H 15.992268 21.870203 18.261496
H 20.077976 15.189322 8.615389
H 20.372964 13.997365 7.729885
H 17.797789 19.048139 13.948407
H 16.687517 19.969570 13.489979
H 1.038196 16.412735 25.198276
H 2.466296 16.899785 25.074958
H 11.940297 2.198262 20.137786
H 12.805791 1.458229 21.135367
H 18.093223 9.992585 16.909556
H 18.488158 10.313176 18.335439
H 3.377990 22.211587 20.974035
H 2.455583 21.285731 20.209932
H 24.996127 12.742589 19.882725
H 24.572854 11.299222 20.054265
H 19.152420 18.796687 19.621715
H 19.043644 20.260633 19.251680
H 5.214188 19.816669 2.844932
H 6.083172 18.599111 2.611879
H 24.873757 19.253593 12.278145
H 24.193059 20.582138 12.026125
H 23.031918 18.719516 9.371474
H 22.619936 19.031666 10.794404
H 14.333633 1.554644 16.797856
H 13.368960 0.513383 16.271476
H 20.999295 22.764803 25.013475
H 20.667110 22.988056 23.553438
H 20.569551 13.388604 13.353710
H 19.134839 13.600579 12.919471
H 12.069821 13.264223 13.964744
H 12.687719 12.615419 12.744437
H 10.826586 23.370656 21.800166
H 10.962979 22.203985 20.845089
H 18.825523 15.910264 15.068016
H 19.317656 17.315262 14.792917
H 21.471569 24.067462 21.566142
H 22.242931 23.979122 20.266491
H 18.274589 19.772364 9.160597
H 17.892101 21.228253 8.999398
H 14.675159 19.265787 23.613644
H 13.736369 20.395105 23.981351
H 24.204966 23.330839 -0.598055
H 23.790153 23.186176 0.850702
H 21.729227 13.328189 16.075527
H 21.376665 14.602928 16.812164
H 22.173578 24.020947 14.986030
H 22.503814 23.007671 13.910804
H 22.754531 13.492762 1.410069
H 22.360984 14.458411 0.312556
H 23.996069 17.447086 14.435196
H 23.040862 16.585556 13.636922
H 0.765160 1.251910 16.354593
H 2.148866 0.764357 15.981036
H 16.438369 19.265704 15.548795
H 15.322587 18.892573 16.501526
H 24.540452 19.043901 21.876005
H 23.222285 19.729115 21.584779
H 0.385809 20.989084 19.247099
H 0.277194 21.232784 20.737303
H 14.681740 18.443153 10.570666
H 15.472934 19.553225 11.229186
H 23.553364 22.561730 16.094033
H 24.088577 21.697963 17.216240
&END COORD
&KIND H
BASIS_SET TZV2P-GTH
POTENTIAL GTH-PADE-q1
&END KIND
&KIND O
BASIS_SET TZV2P-GTH
POTENTIAL GTH-PADE-q6
&END KIND
&END SUBSYS
&END FORCE_EVAL
&GLOBAL
PROJECT H2O-512
RUN_TYPE MD
PRINT_LEVEL LOW
&TIMINGS
THRESHOLD 0.000001
&END
&END GLOBAL
&MOTION
&MD
ENSEMBLE NVE
STEPS 10
TIMESTEP 0.5
TEMPERATURE 300.0
&END MD
&END MOTION