# Lammps input file box containing of water only 4971 atoms #1443 water 2962 bonds 1481 angles 5 atom types 1 bond types 1 angle types 0 dihedrals 0 impropers -11.6 12.65 xlo xhi -11.6 11.6 ylo yhi -83.5 83.5 zlo zhi Masses 1 15.9994 #oxygen 2 1.00794 #hydrogen 3 12.0107 #carbon (graphene) 5 0.01588 #HP piston 4 0.01588 #LP piston Atoms 1 1 1 -1.04 -9.34982 11.501687 -19.950107 2 1 2 0.52 -8.823195 11.484551 -20.749232 3 1 2 0.52 -8.872169 10.944147 -19.335918 4 2 1 -1.04 -11.409466 -7.52761 -19.357099 5 2 2 0.52 -11.527898 -8.336456 -18.859132 6 2 2 0.52 -11.503573 -6.8303 -18.708153 7 3 1 -1.04 12.53052 7.318742 -71.220268 8 3 2 0.52 12.551337 8.233901 -71.500054 9 3 2 0.52 11.672814 7.000983 -71.502399 10 4 1 -1.04 8.567235 -4.874014 -62.493523 11 4 2 0.52 8.788926 -5.619052 -63.052092 12 4 2 0.52 7.641832 -4.707002 -62.67231 13 5 1 -1.04 7.577715 -3.863087 -46.821141 14 5 2 0.52 8.327886 -4.192278 -46.32606 15 5 2 0.52 7.065106 -4.644538 -47.028015 16 6 1 -1.04 -1.916461 -10.92397 -57.209927 17 6 2 0.52 -1.161268 -11.509046 -57.149935 18 6 2 0.52 -2.674965 -11.501803 -57.126206 19 7 1 -1.04 12.571869 0.941465 -20.248137 20 7 2 0.52 12.533464 -0.014917 -20.238739 21 7 2 0.52 12.550371 1.1734 -21.176561 22 8 1 -1.04 0.188739 -5.372513 -62.114299 23 8 2 0.52 -0.65362 -5.689755 -61.788694 24 8 2 0.52 0.326667 -5.852659 -62.930794 25 9 1 -1.04 -4.088973 -5.114923 -40.360017 26 9 2 0.52 -3.716676 -4.958793 -39.492119 27 9 2 0.52 -5.01626 -4.896847 -40.266159 28 10 1 -1.04 -11.510556 10.235753 -32.95881 29 10 2 0.52 -11.411489 11.149701 -32.692139 30 10 2 0.52 -11.389534 9.735761 -32.151599 31 11 1 -1.04 6.445416 -10.822476 -31.542075 32 11 2 0.52 6.599579 -10.363783 -30.716203 33 11 2 0.52 5.816533 -11.509483 -31.321269 34 12 1 -1.04 -7.226281 5.558042 -13.328965 35 12 2 0.52 -8.17727 5.453211 -13.299655 36 12 2 0.52 -7.01666 5.586742 -14.262487 37 13 1 -1.04 -0.595325 9.14835 -14.396006 38 13 2 0.52 -0.311649 10.053669 -14.268907 39 13 2 0.52 -0.343874 8.942209 -15.296287 40 14 1 -1.04 -9.729951 9.649044 -71.461099 41 14 2 0.52 -10.567516 9.187215 -71.498883 42 14 2 0.52 -9.071472 8.955386 -71.499476 43 15 1 -1.04 -6.054977 -2.401531 -49.267692 44 15 2 0.52 -5.82792 -1.482216 -49.407457 45 15 2 0.52 -5.271327 -2.785108 -48.874005 46 16 1 -1.04 2.418569 -3.607222 -13.695437 47 16 2 0.52 1.511699 -3.462808 -13.965548 48 16 2 0.52 2.880694 -3.814908 -14.507555 49 17 1 -1.04 6.824048 4.662741 -26.197795 50 17 2 0.52 7.639701 5.158633 -26.126881 51 17 2 0.52 6.841722 4.063696 -25.45143 52 18 1 -1.04 -3.124889 -11.202309 -22.327103 53 18 2 0.52 -2.278869 -11.46376 -21.963617 54 18 2 0.52 -2.904571 -10.608208 -23.044552 55 19 1 -1.04 3.577232 7.272311 -13.960175 56 19 2 0.52 4.466702 7.572165 -14.147683 57 19 2 0.52 3.13679 7.28131 -14.809974 58 20 1 -1.04 -9.311393 -6.692968 -65.331408 59 20 2 0.52 -9.800606 -6.137796 -64.724215 60 20 2 0.52 -8.773157 -6.082028 -65.834679 61 21 1 -1.04 2.237255 6.007893 -64.574372 62 21 2 0.52 1.587175 5.306976 -64.525997 63 21 2 0.52 1.948791 6.648071 -63.923841 64 22 1 -1.04 -11.482108 0.745336 -48.870541 65 22 2 0.52 -11.502819 0.069671 -49.548241 66 22 2 0.52 -11.365614 1.564493 -49.351831 67 23 1 -1.04 0.94855 -7.060026 -11.687783 68 23 2 0.52 0.869953 -7.987855 -11.909559 69 23 2 0.52 1.325126 -6.657311 -12.470241 70 24 1 -1.04 -3.756063 4.007276 -68.63596 71 24 2 0.52 -4.541772 3.461279 -68.66384 72 24 2 0.52 -3.500278 4.012824 -67.713587 73 25 1 -1.04 0.385931 -8.407525 -70.615342 74 25 2 0.52 0.562866 -8.097796 -71.503594 75 25 2 0.52 1.142435 -8.118283 -70.105175 76 26 1 -1.04 -5.277416 11.307862 -5.234977 77 26 2 0.52 -5.516344 10.381924 -5.277191 78 26 2 0.52 -4.930036 11.505964 -6.104639 79 27 1 -1.04 7.668935 -0.679843 -7.800758 80 27 2 0.52 8.527217 -1.10327 -7.817802 81 27 2 0.52 7.048292 -1.388528 -7.970456 82 28 1 -1.04 3.213063 8.107777 -10.456156 83 28 2 0.52 3.616029 8.95099 -10.249179 84 28 2 0.52 2.29907 8.318889 -10.646624 85 29 1 -1.04 -11.46022 -1.451778 -69.724574 86 29 2 0.52 -11.513693 -2.128254 -70.399666 87 29 2 0.52 -11.542655 -0.627346 -70.20389 88 30 1 -1.04 -0.903852 11.35047 -33.329128 89 30 2 0.52 -1.324356 11.495024 -32.481478 90 30 2 0.52 0.033995 11.379706 -33.13987 91 31 1 -1.04 3.084921 4.660251 -37.445672 92 31 2 0.52 3.924822 5.074304 -37.644053 93 31 2 0.52 3.048829 4.636809 -36.489442 94 32 1 -1.04 -5.106743 6.706651 -4.429872 95 32 2 0.52 -4.412296 6.941939 -3.814557 96 32 2 0.52 -5.918348 6.911048 -3.965385 97 33 1 -1.04 5.223669 11.476322 -50.089063 98 33 2 0.52 6.006629 11.508907 -50.638736 99 33 2 0.52 4.503622 11.340118 -50.704863 100 34 1 -1.04 -5.486534 5.947036 -70.81314 101 34 2 0.52 -6.249978 6.276516 -71.287298 102 34 2 0.52 -4.941172 5.542548 -71.487823 103 35 1 -1.04 10.353311 -4.211756 -66.308734 104 35 2 0.52 10.18479 -3.577978 -65.611486 105 35 2 0.52 10.433881 -5.051131 -65.855759 106 36 1 -1.04 -8.526811 -10.94446 -40.755989 107 36 2 0.52 -8.323518 -11.503847 -40.006332 108 36 2 0.52 -8.145454 -11.400555 -41.506171 109 37 1 -1.04 4.409696 5.064592 -28.410634 110 37 2 0.52 4.160368 4.862344 -29.312388 111 37 2 0.52 4.788474 5.942407 -28.457496 112 38 1 -1.04 5.655225 7.771872 -45.879947 113 38 2 0.52 6.131749 7.063788 -46.313273 114 38 2 0.52 5.167908 8.199342 -46.584233 115 39 1 -1.04 5.267479 -5.967998 -15.596577 116 39 2 0.52 4.89277 -6.144867 -16.459445 117 39 2 0.52 6.206782 -6.114544 -15.708213 118 40 1 -1.04 7.741229 6.873668 -16.001252 119 40 2 0.52 7.607232 6.332106 -15.223445 120 40 2 0.52 7.325629 7.708817 -15.786703 121 41 1 -1.04 -4.615484 -2.835015 -52.236211 122 41 2 0.52 -4.813388 -2.804823 -53.17224 123 41 2 0.52 -4.762986 -3.747915 -51.989053 124 42 1 -1.04 12.561864 -2.084542 -15.339019 125 42 2 0.52 12.321566 -3.00984 -15.387081 126 42 2 0.52 12.333274 -1.732235 -16.199167 127 43 1 -1.04 4.139278 -5.506644 -70.918337 128 43 2 0.52 3.422921 -5.750942 -71.504324 129 43 2 0.52 4.855831 -5.262411 -71.504111 130 44 1 -1.04 12.199663 5.602799 -2.910158 131 44 2 0.52 12.568164 6.287721 -3.468116 132 44 2 0.52 12.555476 5.784555 -2.040336 133 45 1 -1.04 0.895416 11.429306 -11.523354 134 45 2 0.52 1.809826 11.521527 -11.25581 135 45 2 0.52 0.398342 11.503763 -10.708736 136 46 1 -1.04 -6.850121 -1.949576 -65.588101 137 46 2 0.52 -6.372921 -2.757714 -65.776305 138 46 2 0.52 -7.729945 -2.10484 -65.931659 139 47 1 -1.04 2.099382 -1.096514 -60.617292 140 47 2 0.52 2.002808 -0.821422 -61.529008 141 47 2 0.52 1.77612 -1.99736 -60.6029 142 48 1 -1.04 7.550414 -4.732369 -59.357911 143 48 2 0.52 6.922239 -5.443646 -59.483251 144 48 2 0.52 8.379209 -5.173999 -59.172732 145 49 1 -1.04 -6.131823 -0.607662 -45.367263 146 49 2 0.52 -6.060053 -1.554011 -45.242763 147 49 2 0.52 -5.761332 -0.231768 -44.568721 148 50 1 -1.04 -11.510504 -6.956987 -52.975281 149 50 2 0.52 -11.157347 -6.25234 -52.432159 150 50 2 0.52 -11.33129 -6.680189 -53.873888 151 51 1 -1.04 12.010281 -7.477591 -8.630782 152 51 2 0.52 12.566572 -7.778875 -7.912453 153 51 2 0.52 12.565128 -7.543637 -9.407964 154 52 1 -1.04 11.695667 11.504058 -45.625836 155 52 2 0.52 12.544187 11.488174 -46.068545 156 52 2 0.52 11.0541 11.487058 -46.335999 157 53 1 -1.04 8.094749 -0.36279 -30.124566 158 53 2 0.52 7.692514 -0.795672 -29.37154 159 53 2 0.52 8.063432 0.569607 -29.91036 160 54 1 -1.04 -11.49631 1.582822 -31.819268 161 54 2 0.52 -11.334264 0.857578 -32.422585 162 54 2 0.52 -11.439861 2.366718 -32.365664 163 55 1 -1.04 -4.29212 -6.2422 -61.180436 164 55 2 0.52 -4.942963 -6.632797 -61.763589 165 55 2 0.52 -4.265514 -5.319623 -61.434151 166 56 1 -1.04 -5.370534 -8.745239 -15.127752 167 56 2 0.52 -4.923867 -8.568891 -15.955773 168 56 2 0.52 -4.772467 -8.414926 -14.457352 169 57 1 -1.04 0.886999 -11.182635 -67.649745 170 57 2 0.52 0.327603 -10.757553 -68.29983 171 57 2 0.52 1.633158 -11.509648 -68.152275 172 58 1 -1.04 12.552765 0.450681 -60.282736 173 58 2 0.52 11.758953 0.966283 -60.425021 174 58 2 0.52 12.382248 -0.379933 -60.726847 175 59 1 -1.04 9.610718 0.623193 -57.723703 176 59 2 0.52 9.577963 1.534498 -58.014701 177 59 2 0.52 9.432362 0.664714 -56.784185 178 60 1 -1.04 6.677812 -2.025009 -42.810169 179 60 2 0.52 6.895852 -2.782502 -42.26713 180 60 2 0.52 6.485114 -2.394866 -43.671739 181 61 1 -1.04 -9.88658 -4.158771 -21.296137 182 61 2 0.52 -9.139171 -3.669255 -20.952652 183 61 2 0.52 -9.688506 -4.278777 -22.224896 184 62 1 -1.04 -6.484514 1.279429 -18.625084 185 62 2 0.52 -5.642204 0.827711 -18.573184 186 62 2 0.52 -6.774633 1.351468 -17.715759 187 63 1 -1.04 9.222208 10.84934 -23.115041 188 63 2 0.52 9.616568 10.219892 -22.5113 189 63 2 0.52 9.904956 11.504783 -23.258147 190 64 1 -1.04 6.261997 0.158016 -15.2926 191 64 2 0.52 5.749361 0.615204 -15.959242 192 64 2 0.52 7.166189 0.422634 -15.461842 193 65 1 -1.04 -3.17822 -4.565199 -1.501096 194 65 2 0.52 -2.471937 -4.911109 -2.04675 195 65 2 0.52 -3.840858 -5.255951 -1.499911 196 66 1 -1.04 4.882582 -4.181363 -31.392926 197 66 2 0.52 5.417139 -3.678121 -30.778738 198 66 2 0.52 4.249656 -4.639933 -30.840344 199 67 1 -1.04 1.467028 0.594746 -1.702754 200 67 2 0.52 0.584801 0.902263 -1.494577 201 67 2 0.52 2.034946 1.33697 -1.495871 202 68 1 -1.04 6.011989 -2.569466 -17.611459 203 68 2 0.52 6.373569 -3.417284 -17.869708 204 68 2 0.52 5.298604 -2.785667 -17.010987 205 69 1 -1.04 12.114665 1.590193 -17.045196 206 69 2 0.52 12.550222 1.746034 -16.207203 207 69 2 0.52 11.181109 1.667814 -16.848533 208 70 1 -1.04 12.318647 -11.368828 -15.280026 209 70 2 0.52 12.550517 -10.448074 -15.158878 210 70 2 0.52 11.431106 -11.44101 -14.9289 211 71 1 -1.04 -1.112163 10.924676 -48.843679 212 71 2 0.52 -1.263131 11.501411 -49.592555 213 71 2 0.52 -1.169149 11.501025 -48.081575 214 72 1 -1.04 8.975289 11.226021 -57.449846 215 72 2 0.52 9.327072 11.502057 -58.29618 216 72 2 0.52 8.040732 11.094611 -57.609731 217 73 1 -1.04 11.522554 -0.151719 -64.548256 218 73 2 0.52 12.443682 0.064414 -64.403212 219 73 2 0.52 11.08914 0.08167 -63.727335 220 74 1 -1.04 5.038055 8.240095 -21.926637 221 74 2 0.52 5.925667 8.297988 -21.57305 222 74 2 0.52 4.482586 8.102349 -21.159364 223 75 1 -1.04 -7.29021 -11.263042 -21.827289 224 75 2 0.52 -6.419188 -11.349163 -22.214758 225 75 2 0.52 -7.892051 -11.481985 -22.538682 226 76 1 -1.04 -4.558067 -7.264782 -23.83804 227 76 2 0.52 -4.05432 -7.459325 -23.047711 228 76 2 0.52 -5.101497 -6.514379 -23.59761 229 77 1 -1.04 9.520878 -4.359796 -7.460908 230 77 2 0.52 9.765438 -5.263616 -7.659726 231 77 2 0.52 8.565208 -4.375593 -7.409213 232 78 1 -1.04 0.354512 2.592952 -51.114496 233 78 2 0.52 -0.08651 2.648996 -51.962191 234 78 2 0.52 0.587639 1.668815 -51.02589 235 79 1 -1.04 -7.921465 -1.827667 -4.561477 236 79 2 0.52 -7.217286 -2.459423 -4.70724 237 79 2 0.52 -8.719463 -2.356153 -4.550102 238 80 1 -1.04 1.103932 2.453135 -44.578178 239 80 2 0.52 1.099883 3.041903 -43.823483 240 80 2 0.52 1.145704 1.575735 -44.197843 241 81 1 -1.04 12.532961 1.352609 -35.806922 242 81 2 0.52 11.603456 1.576041 -35.855163 243 81 2 0.52 12.544888 0.425116 -35.57061 244 82 1 -1.04 3.974992 -1.826127 -46.475528 245 82 2 0.52 3.602201 -1.64728 -47.338818 246 82 2 0.52 4.494492 -2.620645 -46.598366 247 83 1 -1.04 11.914811 -11.314906 -7.747961 248 83 2 0.52 11.247431 -10.789511 -8.189314 249 83 2 0.52 12.561703 -11.501894 -8.42825 250 84 1 -1.04 2.23109 -1.099234 -17.419816 251 84 2 0.52 1.696514 -1.544034 -16.762085 252 84 2 0.52 2.803203 -0.522225 -16.913875 253 85 1 -1.04 9.283959 4.168343 -22.713583 254 85 2 0.52 9.307675 4.933422 -23.288318 255 85 2 0.52 9.268496 3.420191 -23.310456 256 86 1 -1.04 4.273277 -4.570766 -10.967828 257 86 2 0.52 3.513698 -5.031679 -10.6117 258 86 2 0.52 4.565833 -5.117763 -11.696824 259 87 1 -1.04 -11.310063 -2.388197 -44.785837 260 87 2 0.52 -10.591017 -1.831932 -44.48622 261 87 2 0.52 -11.520294 -2.058769 -45.659626 262 88 1 -1.04 0.471563 4.824731 -34.103623 263 88 2 0.52 1.13997 5.489084 -33.936008 264 88 2 0.52 -0.276506 5.316914 -34.44182 265 89 1 -1.04 -5.199567 4.747334 -55.752213 266 89 2 0.52 -5.573999 4.099811 -55.154932 267 89 2 0.52 -4.758765 5.375221 -55.17978 268 90 1 -1.04 -11.493359 1.372104 -52.643491 269 90 2 0.52 -11.501839 0.432861 -52.827826 270 90 2 0.52 -11.510282 1.786175 -53.506327 271 91 1 -1.04 -10.291901 0.726105 -19.212272 272 91 2 0.52 -9.73078 1.501383 -19.194537 273 91 2 0.52 -9.978901 0.186651 -18.486153 274 92 1 -1.04 -2.562414 10.96613 -52.862729 275 92 2 0.52 -1.94653 11.47806 -53.386984 276 92 2 0.52 -3.360323 11.494605 -52.845866 277 93 1 -1.04 -2.262145 -7.620316 -36.114976 278 93 2 0.52 -1.874164 -7.219228 -35.337269 279 93 2 0.52 -1.636135 -8.296556 -36.373898 280 94 1 -1.04 5.674058 4.32504 -22.132536 281 94 2 0.52 6.144725 3.5154 -21.934586 282 94 2 0.52 6.234038 5.01925 -21.785083 283 95 1 -1.04 11.785919 -11.407265 -37.821512 284 95 2 0.52 11.699505 -10.552052 -37.400357 285 95 2 0.52 10.983792 -11.504168 -38.334767 286 96 1 -1.04 4.080627 -3.298569 -57.245284 287 96 2 0.52 3.791213 -2.558158 -57.778444 288 96 2 0.52 4.497819 -3.89405 -57.867844 289 97 1 -1.04 -2.174145 11.359467 -7.912855 290 97 2 0.52 -1.230468 11.501776 -7.839026 291 97 2 0.52 -2.367025 11.504796 -8.839087 292 98 1 -1.04 -11.33785 1.716925 -15.897722 293 98 2 0.52 -11.515699 2.153829 -15.064827 294 98 2 0.52 -11.511767 2.38479 -16.561001 295 99 1 -1.04 12.09163 3.837215 -28.380433 296 99 2 0.52 12.56215 4.516629 -28.863378 297 99 2 0.52 11.626575 3.341897 -29.054683 298 100 1 -1.04 3.172398 -9.12923 -14.886732 299 100 2 0.52 3.410699 -8.606468 -14.121121 300 100 2 0.52 3.962584 -9.137789 -15.426883 301 101 1 -1.04 -11.500111 10.843673 -43.441632 302 101 2 0.52 -11.447734 11.482117 -44.152881 303 101 2 0.52 -11.261331 10.010867 -43.848627 304 102 1 -1.04 7.070318 -0.0224 -24.56712 305 102 2 0.52 7.377329 -0.743572 -24.01768 306 102 2 0.52 6.992755 0.719814 -23.967677 307 103 1 -1.04 -4.917731 -9.881329 -29.12726 308 103 2 0.52 -5.381402 -9.538367 -29.891206 309 103 2 0.52 -5.301148 -10.746295 -28.982162 310 104 1 -1.04 -8.351746 2.020308 -33.492617 311 104 2 0.52 -8.675235 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-8.986972 -31.119737 1941 647 2 0.52 2.442408 -9.656251 -31.781271 1942 648 1 -1.04 9.118181 3.094727 -61.192815 1943 648 2 0.52 9.154895 3.858857 -61.76813 1944 648 2 0.52 9.090306 2.346481 -61.78912 1945 649 1 -1.04 -7.862675 8.529736 -25.436053 1946 649 2 0.52 -8.477012 8.760765 -24.739314 1947 649 2 0.52 -8.334162 8.724367 -26.24602 1948 650 1 -1.04 -2.959083 -1.396772 -46.357433 1949 650 2 0.52 -2.712808 -2.227427 -46.764358 1950 650 2 0.52 -3.27842 -0.859679 -47.082543 1951 651 1 -1.04 10.837543 -7.876606 -68.186458 1952 651 2 0.52 10.517978 -7.029049 -68.4959 1953 651 2 0.52 10.339196 -8.519669 -68.690788 1954 652 1 -1.04 -5.214741 2.843569 -48.01903 1955 652 2 0.52 -5.269323 2.93404 -48.970378 1956 652 2 0.52 -5.431217 1.926184 -47.852385 1957 653 1 -1.04 12.396634 -11.501557 -46.845795 1958 653 2 0.52 11.443159 -11.507024 -46.761626 1959 653 2 0.52 12.554105 -11.402869 -47.78478 1960 654 1 -1.04 -6.327437 11.471801 -54.518403 1961 654 2 0.52 -7.172538 11.500985 -54.966936 1962 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1 4438 4440 2961 1 4441 4442 2962 1 4441 4443