192
water with unit cell: ABC [angstrom] 12.42 12.42 12.42
  O         3.8585873763       -4.7533175213        5.5091974759
  H         4.2109950951       -5.5568705259        5.9994585948
  H         3.0947084560       -4.3172663108        5.9135950646
  O        -3.5460761891        1.7456237131        4.2880212708
  H        -3.3572582677        0.8369944362        4.1529456220
  H        -3.6089143450        1.9436976972        5.2698392012
  O         4.5691359319        2.9343274990       -7.0999718127
  H         3.6785962350        3.2291072409       -6.8049831901
  H         4.4953665356        2.7845914189       -8.0458027314
  O        -2.5731801314       -0.1063102257       -3.4147140374
  H        -2.0386687011        0.4155234251       -2.8289645480
  H        -1.8891606976       -0.6148201666       -3.9280631618
  O        -3.7625034284       -7.7105940327        5.6279977389
  H        -4.6343536576       -7.4199803039        5.9874790347
  H        -3.8520633915       -7.6348492192        4.6607806353
  O        -6.7131259426       -0.0759204976        2.3176844292
  H        -6.0415850051       -0.4560400697        3.0079983076
  H        -6.2582643134        0.7343068494        1.9582947358
  O         4.0109535867       -5.5817692668       -0.4126912859
  H         3.3321311866       -5.6166906662        0.3076935926
  H         3.9051538355       -4.7533442556       -0.8369521875
  O        -2.6692626967       -3.0810510613       -1.2259349448
  H        -3.2486322997       -2.4491708867       -1.7386930105
  H        -2.1918958173       -2.5988518360       -0.5763067756
  O         5.4576244064       -3.1688044689        3.1002596795
  H         4.6854987571       -3.2457995297        3.6224179934
  H         5.2579372917       -3.0507495002        2.1311396222
  O         2.0078792352        3.8025888294       -6.6441198936
  H         1.3809036112        3.0702729257       -6.8038689306
  H         1.8366067800        4.0666291804       -5.7099975874
  O         4.0608830110       -3.8929207302       -3.0596772434
  H         3.2332712864       -3.7206669725       -3.6953758544
  H         4.3366899606       -2.9825098616       -2.9848217710
  O         1.9773593054       -1.8442291306        1.0225667179
  H         1.5650644885       -2.4713604568        1.6495937537
  H         1.6194813185       -1.9133123969        0.0656946095
  O         0.7338447631       -5.7432877136       -5.0100685957
  H         1.4795768454       -6.3299226862       -4.8189325814
  H         0.4491149358       -5.7095685669       -5.9473559749
  O        -7.5166459589       -8.6781062088       -3.2371569882
  H        -7.8737663294       -9.6027219294       -3.0814153209
  H        -7.1323941392       -8.5788960418       -2.3467663280
  O         3.0089956358       -1.6206934676        5.1704516391
  H         3.8547864750       -1.8022862145        5.6866350548
  H         3.1700832113       -0.8185381416        4.6102432456
  O        -0.0943492744        1.8634710749       -6.6861347029
  H         0.2389831969        1.0552334471       -6.3170377387
  H        -0.0534604238        1.7370469556       -7.6527831571
  O         1.3803001006       -3.0815472275        3.6598466091
  H         2.0052752091       -2.6793618758        4.3169228939
  H         1.0973942250       -3.9666380514        3.9813401483
  O        -2.3279129364        2.8060791527        2.2347417439
  H        -1.6230445751        2.1315230876        2.1866163236
  H        -2.7609234795        2.5819568350        3.0889511952
  O         0.8745131234       -0.6611187482       -5.6004046460
  H         1.7204015713       -0.8189656405       -6.1098612966
  H         1.1964117837       -0.2405057963       -4.7549061774
  O        -1.1866462102       -0.7164030048        0.2437849238
  H        -1.1340006348        0.2325710411       -0.0726156939
  H        -0.9335438317       -0.7854778370        1.2011335414
  O        -3.8861935106       -9.0129285534       -3.1318571683
  H        -4.4983492231       -8.2801255892       -3.2160220896
  H        -2.9183857578       -8.7301395642       -3.1224505015
  O         4.9784414381        4.5574106629        2.1605978288
  H         4.5742506248        4.0690251974        1.4375040342
  H         4.2106782789        4.9079438424        2.6736093641
  O         4.2074812608        1.0294752439       -3.2134938111
  H         4.6250866171        0.8524308220       -4.0648666086
  H         4.4221519308        0.1920392568       -2.7364360799
  O        -5.2106345443       -6.3463699492       -2.6806456410
  H        -5.3801630197       -6.0861826108       -1.7737611737
  H        -5.9985546753       -6.0894306119       -3.1521879087
  O         4.8272006144       -2.1493089974        0.6957555837
  H         5.1698114049       -1.3843105780        1.1680731517
  H         3.8731403616       -2.0152767607        0.7901517878
  O         2.1084974235        0.9406557281        1.6964699575
  H         2.7635704789        1.5106519967        1.2582480434
  H         2.3138417141        0.0791504768        1.2943222699
  O        -5.7579045611       -5.0935991816       -0.3613728277
  H        -6.6922016300       -5.4438912590       -0.2434456391
  H        -5.9339541154       -4.1852263482       -0.6893230982
  O        -4.8501183696        4.6347512586        2.6323657871
  H        -5.8186923573        4.7291496971        2.3648078237
  H        -4.7686962808        3.6685062675        2.2489112658
  O         5.5123889390        0.8523825517       -5.5927914459
  H         6.4009274201        1.1961666201       -5.3454982775
  H         5.0326268549        1.4571097750       -6.2820870000
  O         0.7365184732       -1.9176950430       -1.2724577473
  H         0.4366627686       -2.6685959517       -1.8452499204
  H        -0.0280723827       -1.6346960324       -0.7323636982
  O         3.9005939808        2.6221972296        0.0824981180
  H         4.6603628952        2.4136405159       -0.4885023274
  H         3.3619307241        3.2465911837       -0.4599512808
  O        -1.0991624885       -1.3693412589        2.9498880034
  H        -0.3354058556       -2.0369012425        3.1075024163
  H        -1.8473458549       -1.9916364646        3.2032143743
  O         2.0718451094       -5.6501678174        1.3629079156
  H         1.2043618452       -6.1369822674        1.2560686630
  H         2.4507495844       -5.8859092245        2.2558212721
  O        -0.6280310316       -3.8273493362       -2.8460859716
  H        -1.5583639221       -3.7769636412       -2.5811140145
  H        -0.5112292363       -4.5879523025       -3.3982225959
  O        -5.2918433010        2.0621670074        1.4353011132
  H        -4.4549447831        1.8776050679        1.9014549175
  H        -5.1335936869        1.9198214761        0.4197228743
  O         1.9599719653       -3.4245632717       -5.2673604360
  H         1.3225562775       -4.2123092010       -5.0388832852
  H         1.2999292168       -2.7711468268       -5.4986783863
  O        -1.1933205846        3.9368513830       -3.3737465077
  H        -1.2003012694        3.9803649971       -4.3582935942
  H        -0.7402505311        4.6500956055       -2.9405594580
  O        -5.4243979802       -5.0029807582        4.2784625506
  H        -6.1164034705       -4.5127003053        3.7817315683
  H        -4.7403199519       -5.3498607764        3.6920944114
  O         2.9732984993        5.7937546317        3.6041830736
  H         3.4176710045        6.4726708296        4.1695014822
  H         2.4485201643        5.2041088060        4.2250869218
  O        -4.0511295134        1.5445925671       -5.0626498585
  H        -3.5387103609        0.7974835831       -4.6210546124
  H        -4.0333821170        2.3518494025       -4.4301366268
  O         3.4847726839        0.5997692637        4.0091486817
  H         2.7896502362        0.5375110591        3.2686671028
  H         4.3189983631        0.4153324309        3.4395276451
  O        -4.6207476869       -1.0117618538        4.0048952776
  H        -5.3477593066       -1.2443059233        4.6253237945
  H        -4.2163881176       -1.8844792105        3.8428058821
  O        -0.2165387154        1.2751467697        3.1167167744
  H         0.6371782887        1.4136801810        2.7286969429
  H        -0.3894124526        0.3225841245        3.0508790291
  O        -1.9915351632        5.0697083632        0.6000194332
  H        -2.3376502958        4.2340876605        1.0013898546
  H        -2.6520248188        5.7471163392        0.8506616742
  O        -1.3075474036       -1.8956122645       -4.9542920356
  H        -0.8701251561       -2.4028189929       -4.2563741889
  H        -0.5949693850       -1.3532124979       -5.4532434800
  O        -5.1373452268        1.8062068789       -1.2867681226
  H        -4.6981592560        2.4597481938       -1.8505668997
  H        -5.4245526684        1.1256927260       -1.8633945543
  O        -7.3836561358       -1.2119873462       -1.9506599575
  H        -6.4212881329       -1.0371432188       -2.1463799566
  H        -7.4808782211       -1.5310477918       -1.0339482458
  O        -0.4639445925        1.4048471789       -1.7228637494
  H        -0.7867348868        2.1866499220       -2.1962304023
  H         0.2743927320        0.9864157199       -2.2215845685
  O        -0.0298107043       -6.5210921839       -1.0933643185
  H         0.0021424143       -5.5311453888       -1.1226646288
  H        -0.8031132631       -6.7435142146       -0.4648562320
  O         5.7090935537       -1.6927086580        6.0185486672
  H         6.0227718591       -2.5102376528        6.4195407580
  H         5.6793497711       -0.9012395738        6.6521961143
  O        -2.5962982991       -5.7683972037       -4.2195771395
  H        -2.6049028140       -6.7077669400       -4.4728336739
  H        -3.4354537463       -5.5645841736       -3.8483514813
  O        -4.9449687319       -1.4086720170       -3.2473392351
  H        -4.8913021653       -2.2217322989       -3.7674224672
  H        -3.9689548003       -1.0964857745       -3.2341980948
  O         2.2983754229       -8.0809494482       -1.2132412662
  H         1.3003681505       -8.0636283692       -1.1143923954
  H         2.5161940132       -7.1053673603       -1.1768519202
  O         6.7754357543       -3.8965331032       -5.3359261145
  H         7.5499418595       -4.1003001805       -5.8213622687
  H         6.0430158524       -4.4328146397       -5.6479610986
  O        -0.3424844631        4.9658112476        2.9508285728
  H        -0.6418240309        4.1672557959        3.4716379980
  H        -0.6759740908        4.8699377537        2.0551376194
  O        -2.8056288807       -4.0048234272        6.2239057927
  H        -2.3850599469       -4.6322887909        6.8455564859
  H        -2.3797353004       -3.1498233269        6.4330163166
  O        -2.7925113864       -3.4732237158        3.4612331596
  H        -3.1129543056       -3.8620641144        4.2746132111
  H        -3.2856093678       -4.0271447136        2.8274407488
  O         2.4867711476        4.6803618907       -3.9511208166
  H         3.3971373036        4.5081635205       -3.6298163906
  H         1.9790712168        4.6240682409       -3.1152437525
  O         1.6590765104        0.0523137912       -3.1069189687
  H         1.5113564742       -0.5996769003       -2.3563690233
  H         2.5068721250        0.5264194699       -3.0661523880
  O        -1.2023048654       -8.1603479212       -6.3670700282
  H        -0.9055157967       -9.0690551157       -6.5705273597
  H        -2.1798096138       -8.0740016376       -6.5464905196
  O        -0.4761071273        8.3851620636        0.5987466087
  H         0.3632441731        8.3096547993        1.1058350782
  H        -1.2852386123        8.0753854402        1.0587255936
  O         5.9065449362       -6.7989771803       -6.6004398209
  H         5.4130154976       -7.6233171741       -6.9137876216
  H         6.2177506878       -6.2344541440       -7.3198720135
  O        -0.3594330297       -5.2622440761        4.6704297767
  H        -0.4156127476       -6.0988819305        4.1367481919
  H        -1.2931127588       -5.1547968831        4.9497584977
  O        -3.8273131578       -5.5279235466        1.7633664403
  H        -4.1388543582       -6.3621998573        2.1513804320
  H        -4.3955669691       -5.3216936959        1.0405948547