-
Notifications
You must be signed in to change notification settings - Fork 0
/
H2O-512.inp
1604 lines (1600 loc) · 76.1 KB
/
H2O-512.inp
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
&FORCE_EVAL
METHOD QS
&DFT
BASIS_SET_FILE_NAME GTH_BASIS_SETS
POTENTIAL_FILE_NAME POTENTIAL
&MGRID
CUTOFF 280
REL_CUTOFF 30
&END MGRID
&QS
EPS_DEFAULT 1.0E-12
WF_INTERPOLATION PS
EXTRAPOLATION_ORDER 3
&END QS
&SCF
SCF_GUESS ATOMIC
&OT ON
MINIMIZER DIIS
&END OT
&PRINT
&RESTART OFF
&END
&END
# SCF_GUESS RESTART
# EPS_SCF 1.0E-7
&END SCF
&XC
&XC_FUNCTIONAL Pade
&END XC_FUNCTIONAL
&END XC
&END DFT
&SUBSYS
&CELL
ABC 24.8630 24.8630 24.8630
&END CELL
# 512 H2O (TIP5P,1bar,300K) a = 24.8630
&COORD
O 5.357672 6.517790 6.936854
O 4.887309 4.899408 9.024651
O 3.704028 18.190211 17.070457
O 10.744906 13.792984 12.230983
O 22.465103 6.037655 5.674296
O 23.685353 1.494315 9.535479
O 2.716637 23.129008 5.494492
O 14.310945 5.694160 5.278034
O 11.784980 2.098577 13.358818
O 9.564986 11.564551 5.429830
O 2.554286 8.707963 21.720312
O 2.209220 10.848472 6.577872
O 2.329277 11.901974 2.001279
O 9.021675 4.043125 20.545760
O 16.684808 1.128290 4.854912
O 2.101754 8.733456 9.496156
O 6.713834 1.819340 11.658394
O 7.823417 4.752648 4.630713
O 4.247169 2.138667 3.895984
O 6.352877 2.780506 8.189811
O 24.592511 10.607364 1.634240
O 5.416903 4.290060 22.023861
O 5.960434 6.439007 1.823941
O 8.352339 7.568577 8.138398
O 2.390981 4.129449 9.503580
O 7.112722 15.530819 3.815938
O 7.844036 10.170873 6.887484
O 11.857819 10.459720 3.551882
O 7.135817 11.620657 2.193342
O 6.359557 12.734225 13.425503
O 5.173458 17.008853 15.051378
O 7.610957 7.640854 3.630923
O 1.491928 6.030857 7.800444
O 12.187191 2.783914 1.090348
O 23.406962 4.221159 10.197556
O 17.721963 24.561249 8.627677
O 6.122085 11.779548 8.123560
O 5.085116 24.238840 3.200855
O 11.153865 6.623649 8.284463
O 16.899124 3.317139 8.830483
O 7.180868 1.790253 3.725346
O 11.731813 2.684916 9.995532
O 10.114287 13.936704 8.642131
O 6.393670 3.652447 1.903166
O 1.143654 0.744108 5.414528
O 4.797499 10.881720 12.103062
O 8.384307 24.632905 1.655937
O 1.723619 2.525143 22.299914
O 0.586466 8.541199 4.604103
O 9.685970 2.568459 2.775733
O 8.330993 5.072039 10.913098
O 23.932773 3.991176 0.165970
O 3.435642 12.355673 8.541284
O 9.206849 11.418170 11.571746
O 10.666485 23.864498 3.269145
O 1.674053 6.214854 4.215126
O 11.316282 4.009067 7.626862
O 20.686646 0.895772 1.404600
O 10.663838 14.045325 5.351935
O 8.727838 4.290575 7.258732
O 7.485573 7.735102 10.703638
O 11.322974 11.528560 9.469609
O 5.922839 9.165646 5.486712
O 13.053158 14.954409 4.536846
O 0.797970 7.131394 20.385825
O 1.401983 11.858711 16.688151
O 22.855752 13.034168 12.633482
O 6.837371 10.238487 21.729585
O 1.842998 2.780732 19.560102
O 6.322436 4.699619 13.005328
O 6.863409 22.656109 22.071176
O 13.545326 5.177995 18.899193
O 8.418722 2.740734 0.205648
O 8.712718 8.099770 21.736511
O 0.369425 3.543151 14.390014
O 22.210958 9.793594 19.344973
O 7.337967 14.514631 11.833136
O 8.574648 4.809495 14.446586
O 1.316619 23.628628 17.636176
O 5.797061 6.788479 18.550235
O 21.411485 23.094177 18.747743
O 9.107359 24.508636 18.643791
O 2.546206 17.764947 20.104451
O 5.583979 0.358909 0.581748
O 6.972668 10.480214 10.560283
O 3.302496 9.577433 14.351027
O 12.975697 10.461308 17.736236
O 3.009522 9.696814 18.887301
O 2.217698 23.175509 22.592761
O 8.563817 17.486934 16.931842
O 7.098998 10.884072 17.319724
O 11.670059 5.840564 16.977906
O 10.228646 7.902647 18.383917
O 5.266490 8.149376 22.724135
O 22.564492 8.410275 1.359939
O 5.791903 9.402529 19.384884
O 2.124142 14.037266 15.363204
O 5.694274 20.424565 19.290210
O 5.199312 24.123009 14.220643
O 12.862734 3.669963 15.538763
O 23.404455 14.008160 15.189744
O 5.740468 1.943015 20.128737
O 12.145426 12.483223 20.717252
O 10.870202 8.268760 23.705759
O 7.968843 5.848698 17.079682
O 4.934048 23.005336 23.819312
O 9.176409 14.560373 16.852081
O 4.069662 6.528520 20.541153
O 23.893273 3.019422 19.585859
O 24.503240 8.661798 24.039531
O 8.443427 1.795428 22.103733
O 0.864631 4.763111 11.474500
O 23.570954 7.015743 16.678121
O 10.970669 1.787293 18.397634
O 10.641283 4.982946 2.050351
O 5.022342 6.531793 11.244147
O 0.430091 4.841776 22.693640
O 3.907910 8.266005 2.213034
O 17.072488 1.326614 2.305467
O 3.739327 17.125760 10.442362
O 7.928957 5.560702 22.509520
O 5.613844 23.166567 17.474036
O 10.748880 12.115281 16.176036
O 1.712701 9.096907 16.484555
O 4.699391 6.198443 24.246626
O 9.727986 14.294761 21.794279
O 9.009544 3.504671 17.817240
O 16.025184 7.157583 23.139984
O 22.631297 18.720577 14.996927
O 24.250959 22.376518 22.750033
O 4.661139 4.880401 4.921825
O 12.455828 24.797012 8.113004
O 3.223312 20.384877 23.356598
O 4.112313 16.419630 0.090189
O 22.913922 7.489335 14.135209
O 13.329513 24.374764 3.484039
O 8.872099 12.364771 14.346871
O 11.823162 17.150561 7.799296
O 4.782890 1.378211 6.496227
O 24.350547 19.810546 3.989225
O 11.777564 2.127570 4.527857
O 8.164846 8.313992 1.107735
O 19.961655 9.687250 6.996069
O 2.300405 3.228746 6.270491
O 24.631272 18.149659 10.994207
O 7.038668 22.087271 14.024561
O 3.822013 11.058027 4.412963
O 24.348460 15.563389 4.506717
O 9.992786 20.464843 1.272327
O 5.389782 13.856461 19.981235
O 2.262236 24.012434 0.792417
O 9.388614 19.200093 9.795799
O 20.109291 9.809493 1.826189
O 6.668490 22.599740 7.142765
O 14.483553 22.857211 1.253274
O 8.267137 17.839075 14.186074
O 9.719129 15.500156 3.338952
O 10.251720 21.682249 10.697148
O 3.671258 0.953569 12.510377
O 17.087224 15.130035 11.566949
O 4.664774 21.475290 4.442102
O 14.707475 14.619338 2.472155
O 6.088297 12.498366 4.434618
O 7.016034 14.283535 8.976047
O 23.331375 21.840886 2.075237
O 1.031608 10.359150 13.013887
O 15.205392 0.706050 8.324756
O 11.185230 18.085279 11.626079
O 2.224814 18.571560 8.591280
O 2.489587 11.880895 11.193538
O 10.542976 18.186835 2.912389
O 2.091245 19.446032 4.518946
O 23.506589 20.319744 6.607068
O 4.056026 24.028041 7.520700
O 5.656116 21.723823 11.860820
O 24.272929 12.352342 5.068588
O 24.515168 20.122116 18.062025
O 5.205340 16.222336 7.534733
O 13.952803 1.054588 12.199961
O 3.088342 15.359642 18.597987
O 7.453531 0.392750 8.478920
O 9.674361 0.411915 12.620403
O 15.769876 11.679333 3.561627
O 19.326664 18.061867 24.151116
O 6.346184 17.267060 11.972311
O 1.901263 12.987793 19.278689
O 12.950084 17.809738 4.077894
O 2.210460 1.350129 9.662382
O 3.356569 22.320453 15.481402
O 10.412311 4.547734 12.555064
O 6.343748 19.352745 10.339340
O 13.772755 22.000814 7.800310
O 6.795333 13.585880 17.337948
O 4.550442 15.364853 21.881945
O 7.994243 21.028718 3.001289
O 14.448589 1.542696 24.740703
O 24.229430 15.654757 17.159753
O 24.425216 14.769591 22.780811
O 4.982668 14.321992 15.313478
O 13.950447 15.815660 20.850799
O 9.771939 10.592773 1.548600
O 11.087016 16.975741 17.757042
O 3.246307 18.210770 13.496597
O 22.079612 18.711338 18.435244
O 4.269089 7.343863 16.177659
O 7.620149 2.050915 14.397398
O 19.514965 16.991981 21.755116
O 0.690551 17.895801 16.904338
O 22.054323 9.410978 21.946606
O 9.336924 10.725812 20.658238
O 2.232717 13.622579 22.444930
O 5.761464 9.643619 0.942361
O 8.412256 0.491906 5.847342
O 3.192643 20.863248 12.139319
O 8.410205 20.914658 18.015197
O 11.069621 22.895924 0.608662
O 1.398269 5.541176 16.299162
O 5.055230 20.522892 16.385295
O 13.637518 24.081059 10.311756
O 9.474763 22.377142 13.465278
O 10.272838 20.926132 15.583390
O 3.246653 1.559369 24.581540
O 22.188474 20.126268 24.878569
O 12.047195 15.875351 22.828579
O 9.189871 22.878454 8.263875
O 9.537786 10.376961 17.914001
O 17.845946 14.083694 14.521778
O 11.916892 7.003329 21.506489
O 1.017758 21.839065 14.245447
O 8.421462 15.093698 19.483923
O 13.536075 18.314859 17.009689
O 11.803457 20.631075 23.428133
O 3.941103 11.971177 21.393414
O 3.983204 11.150358 24.022433
O 5.382558 19.230136 24.562566
O 7.513531 20.071348 15.639871
O 22.732754 17.025508 23.796054
O 7.194855 23.251533 4.353152
O 6.561310 15.330937 23.577662
O 20.815710 15.298978 5.727334
O 4.423841 1.041119 16.244832
O 10.640664 22.506589 19.183428
O 13.865293 19.045921 21.519262
O 8.681949 24.017521 15.852147
O 0.646598 17.376710 21.927335
O 9.172705 23.901931 23.837472
O 7.527748 17.665431 19.563096
O 1.504777 20.639041 10.144230
O 8.218835 19.537119 24.251147
O 1.433281 16.146528 13.295000
O 8.567408 20.358187 21.875011
O 9.805494 20.349184 4.870391
O 5.140730 17.711735 20.859468
O 12.954116 19.873346 19.168221
O 12.245320 22.297783 16.918670
O 6.722971 24.181952 19.771818
O 15.274594 7.530591 9.158599
O 20.152541 7.066288 6.589186
O 13.637276 12.611356 10.958421
O 23.538620 12.769542 9.126198
O 11.824667 9.395722 6.943535
O 15.456882 23.790289 5.190583
O 19.331183 2.613437 9.804066
O 23.971109 4.652663 7.218057
O 20.739179 8.142581 11.982935
O 13.094262 5.750299 0.310024
O 20.087162 2.057798 3.982808
O 11.022410 10.962397 23.062375
O 17.439075 9.437587 2.601588
O 0.271227 1.577553 0.489560
O 17.078222 22.427068 3.616360
O 19.729164 6.750742 9.397226
O 11.309291 7.716638 14.892375
O 22.675154 3.808916 4.121674
O 16.235660 3.711778 6.098191
O 17.314130 23.526912 13.373581
O 18.196504 7.957193 0.261578
O 15.405716 4.305511 1.354442
O 21.262199 3.584491 0.081230
O 23.981479 9.438136 8.742137
O 12.583534 6.498808 3.064052
O 14.318929 8.103346 6.575600
O 24.498307 1.333328 3.026132
O 0.179486 4.390857 3.018343
O 22.216200 8.622945 4.640929
O 18.004409 8.867452 15.750580
O 11.667143 6.928921 11.840196
O 24.746634 8.233117 12.356497
O 16.796606 8.628142 5.094720
O 20.025274 23.639965 3.194822
O 14.314061 2.729925 3.360092
O 22.680376 7.219091 10.016704
O 10.263700 8.049857 4.058730
O 19.039628 24.132882 10.988488
O 2.884377 14.721258 5.788796
O 0.634829 14.346403 11.587760
O 22.758848 10.281584 10.915677
O 15.720217 1.398321 14.069923
O 19.589207 10.399767 9.733964
O 16.200596 5.757291 3.517730
O 13.995477 5.837292 10.859698
O 15.124102 9.370777 13.008660
O 18.704075 9.644845 13.344871
O 15.335620 3.391130 22.883079
O 13.479789 11.553118 24.262199
O 20.159373 21.565285 1.633757
O 2.957961 8.070407 12.131538
O 18.146239 3.963476 2.819999
O 12.125030 8.815605 9.914743
O 22.513778 6.763958 21.624699
O 20.878554 2.584584 7.459093
O 14.155779 10.295726 1.847266
O 20.934398 4.349785 13.475951
O 17.789617 5.928410 6.008589
O 2.846706 8.036790 6.223131
O 17.432364 6.099016 8.585289
O 22.699290 3.387301 15.116758
O 1.881452 15.461049 9.206652
O 17.855405 23.768369 1.545355
O 22.649090 10.679300 6.663128
O 12.867813 4.476229 22.502123
O 19.601780 2.775454 21.201241
O 19.764766 11.544742 22.061644
O 21.337328 15.189180 21.178525
O 16.945102 3.652649 15.002658
O 14.496687 2.639748 18.367712
O 18.505034 22.344152 20.365492
O 24.579262 8.624407 18.561897
O 22.684779 1.080037 24.102399
O 4.762172 4.566669 16.549488
O 14.800986 5.573777 15.121395
O 15.376667 11.859241 17.159962
O 14.599369 9.853542 10.388089
O 0.948552 24.583215 13.372577
O 16.856113 1.501587 21.307579
O 15.427570 7.205873 18.578137
O 8.924685 5.759695 0.180163
O 22.907320 3.249948 22.200846
O 18.422116 23.343609 16.409584
O 16.843987 23.893364 22.118513
O 20.642903 7.064808 15.915469
O 18.888766 2.513322 13.199356
O 22.569768 11.618225 23.570043
O 24.831152 0.419736 22.626335
O 19.861287 7.713247 23.052730
O 22.826888 12.154451 2.763449
O 20.931072 12.649205 10.347388
O 4.902783 3.010805 14.146370
O 23.376447 10.192325 14.306405
O 14.470587 11.060237 21.733993
O 17.914456 8.624644 21.388624
O 3.186096 4.813169 18.534296
O 14.318320 14.342465 17.375624
O 22.364072 23.371120 9.621542
O 12.769707 24.428142 21.522014
O 20.240422 4.988196 22.493794
O 19.979319 5.956769 19.168129
O 19.873636 3.818481 17.556772
O 21.088089 14.174850 23.759796
O 6.359223 2.588946 17.534292
O 17.613893 4.204286 23.766147
O 18.934661 24.925119 19.027239
O 20.794599 11.308745 14.076095
O 13.002638 9.956176 14.741491
O 14.644759 8.430423 20.989971
O 13.960769 8.309365 0.170550
O 17.329484 2.669548 18.014196
O 11.774964 0.184127 16.391056
O 8.649077 7.888485 14.382785
O 22.314508 0.705972 15.984784
O 1.740781 6.567679 24.281420
O 15.344589 8.194364 16.065258
O 20.357023 11.548881 24.833421
O 19.561044 5.681340 1.345057
O 23.484593 22.650173 12.272283
O 6.163186 9.072726 15.332302
O 3.685517 0.439480 18.907729
O 18.967193 1.188580 15.985326
O 17.399182 5.927957 19.833193
O 19.652960 8.775363 19.247227
O 21.859773 5.748454 2.525521
O 0.735808 12.907237 24.504114
O 24.369106 1.089024 17.509905
O 23.649316 11.169058 16.927783
O 17.598820 13.248843 9.734275
O 15.397598 11.849814 8.170940
O 21.496302 21.039775 8.355512
O 22.893547 23.329417 6.427527
O 10.210143 15.029228 0.746166
O 11.207894 15.561342 10.278911
O 9.198232 12.733261 24.440320
O 6.029050 20.229855 7.899508
O 19.302046 14.165676 3.996869
O 4.786518 16.752347 2.658900
O 16.429727 20.951273 1.532584
O 13.311438 19.259098 13.027644
O 16.584299 22.235035 7.819760
O 16.960805 11.747853 21.498412
O 9.578255 18.630371 6.946590
O 20.151246 17.739743 6.399470
O 15.510657 12.589374 13.857286
O 17.169838 11.321247 6.237017
O 14.292249 12.640077 5.615832
O 17.152483 14.681816 5.725206
O 16.054442 14.215104 21.245098
O 13.039612 14.235749 0.401622
O 22.480221 17.468612 4.163755
O 20.874667 4.651045 10.831558
O 13.883966 14.814526 8.477048
O 17.724276 19.014147 6.153325
O 18.430417 20.766504 24.585201
O 6.983214 18.162983 6.643133
O 0.151630 19.818751 0.040280
O 15.755488 6.696627 12.815673
O 14.494185 23.476231 13.156230
O 14.451765 16.736777 10.751427
O 10.837478 22.441055 6.160105
O 21.328981 12.775737 19.950459
O 16.373054 17.141393 24.452277
O 2.664444 14.637451 3.080298
O 17.140673 18.358517 9.048089
O 16.638042 17.902030 3.795703
O 21.326138 20.586059 4.559530
O 3.747330 19.543958 6.661842
O 17.148959 12.352831 0.625405
O 17.572457 11.855439 12.026142
O 22.990390 24.093781 3.586952
O 15.455819 16.800594 5.787930
O 10.008985 0.339153 9.738959
O 14.431008 2.991127 10.464616
O 10.707496 18.181044 22.356765
O 9.072934 16.771378 24.130713
O 18.082390 21.559310 5.914184
O 17.473016 14.687534 23.683855
O 3.027123 23.196019 10.466678
O 15.969476 17.909942 20.408615
O 11.808234 18.923153 14.940716
O 0.601503 22.058235 6.952201
O 19.281752 13.849265 1.220122
O 19.020848 0.346634 23.876796
O 20.478723 17.046483 9.170867
O 14.849543 18.025343 1.548847
O 21.218153 16.739289 1.956133
O 13.416894 19.105972 6.729343
O 23.362495 14.800766 7.257425
O 23.755336 1.888978 6.896329
O 18.128386 16.699624 2.047549
O 18.868174 0.664099 6.480688
O 6.671653 12.608558 23.532409
O 17.117194 15.133847 18.775277
O 20.474879 21.633247 22.440216
O 21.628706 19.329189 21.754284
O 10.476569 15.418602 14.391017
O 16.744222 21.316985 12.215592
O 22.507939 4.894387 17.906092
O 1.385369 8.293726 1.289780
O 18.306520 13.225688 17.050465
O 5.854939 24.149145 10.550166
O 12.937388 21.594937 10.230972
O 14.906155 23.011986 16.866967
O 20.922623 1.842812 18.904063
O 20.334192 11.341754 4.430686
O 0.593389 15.055432 1.309094
O 21.648583 20.463892 12.985251
O 10.343235 19.212692 19.508240
O 23.202234 15.608781 10.389460
O 13.151364 15.754614 15.118477
O 11.898182 14.768302 19.106403
O 19.441142 21.391548 11.598761
O 18.586127 17.329375 11.205400
O 21.385193 16.214079 12.621798
O 17.935251 17.540192 17.990611
O 15.403019 16.743742 13.754286
O 20.450990 21.270771 15.914892
O 24.061524 17.968301 8.023433
O 21.555810 16.741950 16.653583
O 19.261638 18.491754 13.453427
O 20.104361 23.232042 5.839002
O 14.398485 23.776943 23.612650
O 23.739279 15.869047 19.869322
O 16.783650 21.364065 18.445262
O 19.902157 14.252941 8.523140
O 16.846698 19.154637 13.966191
O 1.570748 17.104793 24.806261
O 12.762825 2.265438 20.622727
O 17.966496 10.640490 17.602659
O 3.268207 21.296480 20.715658
O 24.245915 12.196603 20.117912
O 19.680863 19.558958 19.385234
O 5.907290 19.478711 2.277812
O 24.645784 20.080088 12.703782
O 22.269700 18.935194 9.908819
O 14.282209 0.795018 16.217722
O 20.902861 23.453632 24.355867
O 20.038827 13.704403 12.622386
O 12.642619 12.545211 13.697993
O 10.808733 22.414229 21.766087
O 19.204343 16.677279 15.497452
O 22.361031 24.065185 21.212471
O 18.615124 20.660658 9.266429
O 14.545610 19.963750 24.255747
O 24.396593 23.658813 0.280548
O 21.147013 13.675689 16.751176
O 22.356661 23.090891 14.852957
O 22.704087 14.426502 1.205581
O 23.837065 16.542247 14.166466
O 1.461558 1.372525 15.709060
O 16.147035 19.376557 16.453818
O 24.157068 19.902334 21.696165
O 0.684169 21.576065 19.941840
O 15.025828 19.322671 10.414831
O 23.906986 22.608200 16.982303
H 5.408716 5.942277 7.700013
H 4.639938 7.118656 7.136978
H 5.020482 5.434039 9.807382
H 3.939218 4.776923 8.976141
H 3.794256 19.083495 16.738592
H 4.393148 17.697778 16.624526
H 11.004914 14.351544 11.498427
H 9.951989 13.351573 11.926565
H 22.500624 5.211215 5.192666
H 23.073856 5.917066 6.403069
H 22.962661 0.994472 9.915090
H 24.471607 1.013598 9.794220
H 2.461625 23.972859 5.121508
H 1.895475 22.743830 5.800372
H 13.458295 5.682836 4.843188
H 14.304884 6.498284 5.797246
H 12.115689 2.591362 14.109835
H 12.567095 1.721282 12.956107
H 8.843391 11.662834 4.808643
H 9.203195 11.027796 6.134978
H 2.255310 8.992949 22.583809
H 3.468532 8.457638 21.853446
H 2.655313 10.879429 5.731542
H 1.912434 9.942131 6.659711
H 1.474482 11.471590 1.983234
H 2.715207 11.705000 1.147762
H 9.066356 3.112734 20.766231
H 8.392835 4.407445 21.168706
H 16.148059 0.371542 5.090423
H 17.531982 0.959260 5.267169
H 1.255111 9.134307 9.299315
H 2.020130 7.833281 9.181110
H 6.395914 0.926594 11.523620
H 5.958799 2.374809 11.464464
H 6.881869 4.841955 4.778169
H 8.065321 5.538891 4.141289
H 3.351213 2.474845 3.874099
H 4.471961 2.115001 4.826113
H 5.713006 3.400578 8.539538
H 7.060980 3.330127 7.854045
H 23.853519 11.067940 2.031721
H 24.349715 9.682440 1.676651
H 4.832408 4.993198 21.740674
H 6.197419 4.741548 22.345085
H 6.155574 5.512627 1.682614
H 6.533461 6.697567 2.545756
H 9.280572 7.430030 7.950195
H 7.911099 6.822808 7.731745
H 2.330109 3.175343 9.550553
H 2.094146 4.431417 10.362030
H 6.878519 15.707274 4.727115
H 6.503630 16.063124 3.304188
H 7.288296 9.812328 6.195508
H 7.970150 9.442488 7.495581
H 11.710617 11.042689 4.296671
H 12.795773 10.529588 3.374142
H 6.496352 11.073912 1.736848
H 7.965297 11.153335 2.094321
H 6.742970 13.365363 12.816495
H 7.112405 12.316894 13.844175
H 5.151594 16.056921 15.149255
H 5.944607 17.176766 14.509744
H 7.000568 8.278923 4.000415
H 8.464232 7.892501 3.984232
H 0.606261 5.759490 7.559227
H 1.815404 5.324549 8.359661
H 13.054495 2.565245 0.749469
H 11.579604 2.310646 0.521941
H 23.595025 3.285202 10.127926
H 22.514852 4.261706 10.542125
H 17.420826 23.709902 8.310257
H 16.922316 25.014028 8.895611
H 6.751912 11.391472 7.516150
H 6.155093 11.215597 8.896284
H 5.071971 24.357318 2.251107
H 5.031114 25.126779 3.554240
H 11.461436 7.214533 7.597085
H 11.575444 6.943374 9.082134
H 16.809144 3.327393 7.877577
H 16.114862 2.864470 9.140736
H 6.226722 1.864642 3.742775
H 7.452522 1.975964 4.624205
H 11.549804 3.125396 9.165423
H 11.143838 1.929606 10.000391
H 10.525849 14.436034 9.347481
H 9.174636 14.027996 8.800100
H 7.090170 3.443926 2.525773
H 5.718716 2.994248 2.068827
H 1.724688 1.455525 5.683818
H 0.392680 0.811331 6.004232
H 4.417005 10.292582 12.754501
H 5.065701 11.652135 12.603823
H 7.829748 25.248837 1.177060
H 8.018171 24.617807 2.540215
H 1.244960 1.701104 22.389785
H 2.528796 2.390722 22.799768
H -0.329756 8.501067 4.878252
H 0.557479 8.917291 3.724360
H 9.558117 2.232210 1.888703
H 8.887797 2.322108 3.243134
H 8.177721 4.420608 10.228717
H 9.231633 4.914897 11.196623
H 24.467719 3.268561 -0.162501
H 24.303183 4.192672 1.025288
H 2.910586 11.751997 8.015811
H 4.331920 12.226776 8.230959
H 8.706584 11.516697 12.381844
H 8.618123 10.947321 10.981886
H 10.234409 24.487366 2.684698
H 10.573765 23.019144 2.829813
H 2.093730 5.975225 5.041372
H 1.415393 7.128803 4.333549
H 11.448796 4.893181 7.968937
H 11.942001 3.934223 6.906373
H 20.276857 0.065226 1.646464
H 20.556007 1.458969 2.167472
H 10.406052 13.124585 5.396832
H 10.524008 14.377210 6.238802
H 9.647136 4.025035 7.283457
H 8.499707 4.279321 6.329183
H 7.992171 7.981780 9.929855
H 7.904636 6.934648 11.019694
H 10.620502 11.271174 10.066700
H 11.013869 12.342625 9.072139
H 5.347231 9.867569 5.183047
H 5.326789 8.478024 5.783582
H 12.261518 14.418925 4.589720
H 12.741920 15.853702 4.639976
H 0.149751 6.927123 21.059855
H 1.477480 7.622752 20.847415
H 1.743218 10.965866 16.739329
H 0.477436 11.749878 16.465438
H 22.471255 12.425576 12.002602
H 23.730353 13.215692 12.289454
H 6.427671 10.039125 20.887781
H 6.348053 9.715351 22.364510
H 0.896449 2.881319 19.459310
H 1.986502 2.795580 20.506368
H 6.908901 4.376490 12.321311
H 6.903510 5.111611 13.644740
H 6.167077 22.728478 22.723951
H 7.587082 23.166416 22.434656
H 13.067510 5.265964 19.723927
H 12.950859 5.533170 18.238367
H 7.723204 3.330019 0.497591
H 8.732228 3.126248 -0.612474
H 7.845555 8.478218 21.881553
H 8.993893 8.459480 20.895214
H 0.673593 2.694664 14.712170
H -0.530555 3.612221 14.708602
H 22.211283 9.883111 20.297978
H 23.086298 9.468684 19.134150
H 7.512272 14.297277 10.917381
H 6.832814 15.326791 11.795067
H 8.195247 4.081204 14.938398
H 9.370643 4.447391 14.057349
H 1.492845 23.717987 18.572761
H 0.416391 23.306475 17.591027
H 5.143759 6.908397 17.860998
H 6.525251 6.344171 18.115997
H 20.648786 22.595634 18.454524
H 22.150870 22.691798 18.292076
H 8.365545 24.620702 19.238253
H 8.714228 24.213753 17.822375
H 1.933332 18.299564 19.599672
H 2.067334 17.539270 20.901937
H 5.500704 -0.421975 0.034465
H 4.824533 0.894627 0.352662
H 6.315200 10.534068 11.253873
H 7.253543 9.565172 10.566381
H 3.105307 8.967863 13.639850
H 2.792928 9.252900 15.093490
H 12.633022 10.470807 18.629945
H 12.767704 9.586251 17.408750
H 3.947897 9.567916 18.749208
H 2.853873 9.389194 19.780260
H 1.510521 22.586404 22.855607
H 1.855676 24.053475 22.712545
H 8.148132 17.547798 17.791919
H 8.131364 18.161343 16.408020
H 7.990882 10.728463 17.630468
H 7.002555 10.302140 16.565877
H 11.572486 4.947343 16.647954
H 11.614282 6.392090 16.197559
H 11.080597 7.493589 18.231989
H 9.600504 7.184463 18.307228
H 5.449521 7.821629 23.604654
H 4.985911 7.376589 22.233924
H 22.164760 7.640792 0.954548
H 21.831120 9.002896 1.524857
H 6.038613 8.477856 19.366265
H 6.223011 9.781407 18.618836
H 1.671638 13.298226 15.769764
H 3.036361 13.754412 15.299319
H 5.315647 21.121336 19.826291
H 5.199047 19.641305 19.529969
H 4.491829 23.595230 14.590979
H 5.865290 23.485268 13.963755
H 13.513230 4.328558 15.295170
H 13.355994 3.018227 16.036926
H 23.262686 14.847025 14.751067
H 23.548393 13.385839 14.476841
H 5.665058 2.746133 20.644048
H 4.838567 1.720296 19.898082
H 12.020717 13.278089 20.198728
H 11.706200 12.667005 21.547635
H 9.970680 8.135091 23.407054
H 10.951213 7.711858 24.480051
H 8.518321 5.170026 17.471740
H 7.956598 5.637922 16.146058
H 4.689858 22.156142 24.187378
H 4.153563 23.295713 23.347340
H 9.750212 13.810535 16.694840
H 9.271908 15.103824 16.069922
H 3.305183 6.331256 19.999959
H 4.794259 6.591988 19.918930
H 23.575957 2.912636 20.482597
H 23.480027 3.826677 19.279591
H 24.208693 7.879452 23.573259
H 23.723340 8.976692 24.496511
H 8.595693 0.980190 22.581680
H 7.490542 1.880243 22.071347
H 0.061484 4.288061 11.261158
H 0.946163 4.682067 12.424772
H 22.956258 6.460921 17.158281
H 23.118272 7.224023 15.860852
H 10.460562 1.047499 18.727373
H 11.407470 1.448347 17.616256
H 10.093631 4.598039 2.734571
H 11.269053 4.294785 1.829962
H 5.737755 7.154404 11.114640
H 5.308302 5.986736 11.977203
H -0.509981 4.693073 22.795539
H 0.789468 3.977482 22.493449
H 3.125267 8.298475 1.662900
H 4.297777 7.412137 2.025559
H 17.805749 1.940343 2.349004
H 16.772353 1.246681 3.210874
H 3.362300 17.604145 11.180758
H 3.051526 16.516078 10.175063
H 8.318765 6.381550 22.208703
H 8.339236 5.397231 23.358744
H 4.929907 23.834668 17.519883
H 6.046602 23.207225 18.326855
H 11.632643 12.029750 16.533637
H 10.268913 11.372437 16.542158
H 2.305421 9.069407 17.235660
H 1.042132 8.443605 16.683965
H 4.727504 6.629066 25.101029
H 5.225383 5.406720 24.359490
H 8.957970 14.099296 22.328227
H 9.370973 14.631790 20.972582
H 9.687141 2.828841 17.835901
H 8.982773 3.842451 18.712460
H 15.930534 6.205521 23.110800
H 16.968223 7.302772 23.216336
H 22.323415 19.366546 14.361187
H 23.271057 19.193607 15.529075
H 23.482012 22.694476 22.276899
H 24.245541 21.429899 22.608205
H 4.307119 5.501686 4.285501
H 4.849873 5.410963 5.695850
H 12.685098 24.644558 9.029750
H 11.686321 25.365141 8.149353
H 3.247185 20.262476 22.407557
H 3.864930 19.760514 23.695315
H 4.585326 17.247767 0.008466
H 4.379295 15.913993 -0.677460
H 23.262016 8.355795 13.924711
H 23.535258 6.878369 13.739109
H 13.271614 25.287586 3.766237
H 12.426130 24.126443 3.287906
H 9.651086 12.098606 14.835305
H 8.986960 13.304472 14.205447
H 10.937445 17.390389 7.526862
H 12.353568 17.921101 7.596392
H 4.596407 0.521034 6.879245
H 5.541227 1.699254 6.984169
H 23.739306 20.018869 4.695779
H 24.057151 18.960642 3.660876
H 11.117441 2.148433 3.835012
H 11.310792 1.794051 5.294095
H 7.442766 8.780450 0.686725
H 7.828665 8.082585 1.973567
H 19.895977 8.747380 6.827063
H 19.768798 9.777326 7.929302
H 3.221211 3.432959 6.107255
H 2.183662 3.379999 7.208428
H 25.258522 17.775581 10.375454
H 24.174413 17.392319 11.360194
H 7.151870 21.490627 14.764449
H 7.926439 22.372303 13.808109
H 3.555966 11.309193 3.528448
H 4.581099 11.609963 4.601078
H 23.991019 14.812518 4.032735
H 24.623954 15.205453 5.350646
H 9.656136 20.096752 0.455377
H 10.699829 19.872819 1.528902
H 4.920291 14.017915 19.162856
H 6.301871 14.065798 19.779979
H 2.421387 23.983095 1.735838
H 1.371944 23.676505 0.688667
H 9.796284 18.914873 8.978067
H 9.944095 18.830963 10.482396
H 19.155764 9.796976 1.909028
H 20.282716 10.462373 1.148028
H 5.766888 22.921133 7.135542
H 6.917365 22.562402 6.219240
H 14.843002 23.361997 1.982808
H 13.567660 22.711709 1.490341
H 9.049365 17.350321 14.441944
H 7.888274 17.328229 13.470721
H 8.767896 15.594433 3.388942
H 9.945680 14.951297 4.089726
H 9.926248 22.456997 10.238819
H 9.705139 20.965532 10.374972
H 3.717777 1.784843 12.982660
H 4.214227 0.355244 13.023625
H 17.406354 14.456463 10.966375
H 17.308848 14.799778 12.437607
H 5.041613 22.082648 3.805439
H 4.030547 22.001262 4.929280
H 14.145481 14.647569 3.246492
H 15.258264 15.398624 2.546830
H 6.459936 12.234832 3.592795
H 5.943411 13.440616 4.348562
H 6.781856 13.466603 8.535577
H 6.533159 14.959525 8.500547
H 22.703724 21.264799 1.638877
H 24.038215 21.258597 2.353714
H 1.289044 11.049601 12.402957
H 1.786752 10.257526 13.593250
H 15.228294 0.309151 7.454022
H 14.339033 0.485038 8.666529
H 10.981254 17.985958 12.556005
H 11.997370 18.591679 11.611280
H 3.040348 18.107645 8.780803
H 2.301391 18.825626 7.671596
H 2.753408 12.006667 10.282049
H 3.294540 11.623528 11.643032
H 10.303518 17.261080 2.869149
H 11.391855 18.194745 3.354626
H 2.450791 19.433573 3.631927
H 1.172607 19.688305 4.402156
H 23.647383 19.430105 6.931028
H 22.648429 20.567461 6.951203
H 3.495985 23.626695 6.856240
H 3.546735 23.972441 8.329257
H 6.083773 21.011289 11.385807
H 6.115161 21.762367 12.699882
H 25.202199 12.124224 5.094106
H 23.856068 11.727580 5.661994
H 23.907545 19.538715 18.516635
H 25.096725 19.534369 17.579763
H 4.638685 16.448643 8.272242
H 4.618430 15.816110 6.896965
H 14.051065 0.250521 11.690007
H 14.659015 1.017467 12.845033
H 2.911271 15.384689 17.657641
H 2.722710 16.178395 18.932933
H 7.200935 1.268178 8.772268
H 6.912162 -0.200404 8.999803
H 9.499904 0.439416 11.679637
H 10.236515 1.169507 12.782482
H 16.279216 12.386271 3.165338
H 15.317741 11.267404 2.825338
H 19.553115 17.713300 23.288879
H 20.099357 17.890899 24.689584
H 6.397449 17.883730 11.242022
H 5.449485 16.933502 11.942256
H 1.815327 12.635384 18.392882
H 2.341471 13.829498 19.160449
H 13.469455 18.083067 4.834054
H 13.519051 17.970624 3.325149
H 2.141098 0.624977 9.041434
H 2.215715 0.929961 10.522418
H 2.593407 21.934009 15.051894
H 2.989021 22.938048 16.113633
H 10.858098 5.390023 12.644810
H 11.097409 3.942703 12.270793
H 7.256075 19.536166 10.115179
H 5.874618 19.417146 9.507474
H 13.467216 21.932136 8.704833
H 13.157776 22.605073 7.384493
H 6.972811 12.646091 17.377054
H 7.616063 13.972612 17.032871
H 4.695590 16.255002 21.561321
H 4.770940 14.803188 21.138881
H 7.355840 20.334675 2.837041
H 8.569156 21.011947 2.236158
H 15.090237 1.293145 25.405717
H 14.231947 0.722866 24.296657
H 23.345758 15.902472 16.887733
H 24.432331 14.878312 16.638029
H 24.046761 14.179708 22.128859
H 25.120077 14.256850 23.193724
H 5.597154 14.161175 16.029563
H 5.299454 13.771637 14.597246
H 13.324422 15.625490 20.152115
H 13.447039 15.713375 21.658481
H 10.568734 10.563511 2.078216
H 9.591475 9.677148 1.335774
H 10.976369 17.622888 18.453598
H 10.288635 17.047366 17.233888
H 2.456237 17.707370 13.693091
H 3.905791 17.867358 14.099409
H 21.219736 19.131686 18.422907
H 21.916495 17.821953 18.121209
H 4.270188 6.387540 16.136715
H 3.431103 7.599612 15.792166
H 7.663102 2.156001 13.446954
H 6.763286 1.655098 14.556604
H 20.176767 16.309996 21.640452
H 18.705937 16.598744 21.427900
H 0.389393 17.001249 16.745236
H 1.641982 17.848993 16.810424
H 21.127924 9.258134 22.132769
H 22.453109 8.541580 21.983334
H 8.542073 10.883553 21.167709
H 10.022055 11.199917 21.129464
H 2.757525 14.421335 22.392038
H 2.773179 12.952207 22.026919
H 5.387286 9.844371 0.084502
H 5.013968 9.363668 1.470667
H 8.120296 -0.372434 5.557674
H 8.143135 0.541177 6.764608
H 3.162993 20.129015 12.752716
H 4.110669 21.134221 12.133549
H 7.615418 20.826076 18.541220
H 8.134159 20.697320 17.124807
H 11.736391 22.598580 -0.010399
H 10.524163 22.124580 0.762727
H 1.304201 4.787714 15.716343
H 0.505610 5.865670 16.417883
H 4.694902 21.319392 15.995445
H 5.107239 20.716163 17.321337
H 13.325055 23.223862 10.601258
H 14.351005 23.883995 9.704850
H 9.791798 23.255548 13.255219
H 9.632073 21.868609 12.669741
H 10.038157 21.428596 14.803207
H 9.433429 20.665621 15.962546
H 2.683694 0.793472 24.694282
H 2.699060 2.300097 24.841726
H 21.814569 19.767808 24.073626
H 23.097013 19.824965 24.876100
H 11.336270 15.284126 22.581050
H 12.271539 15.619548 23.723267
H 9.795505 22.748051 7.534194