LAMMPS 2005 data file for water333 1620 atoms 1080 bonds 540 angles 0 dihedrals 0 impropers 2 atom types 1 bond types 1 angle types 0.000000000 30.000000000 xlo xhi 0.000000000 30.000000000 ylo yhi 0.000000000 30.000000000 zlo zhi Atoms 1 0 1 -0.820000 2.987002777 1.859785391 7.250709245 2 0 1 -0.820000 5.391468343 3.149880719 7.000222127 3 0 1 -0.820000 7.318925714 3.029318917 1.357676302 4 0 1 -0.820000 3.789862709 3.557045220 5.394744841 5 0 1 -0.820000 1.832659972 3.035141537 3.162750721 6 0 1 -0.820000 7.098639998 1.342590949 7.376257146 7 0 1 -0.820000 1.781604712 2.946291772 1.054227932 8 0 1 -0.820000 6.378099057 3.138665900 3.879358049 9 0 1 -0.820000 4.765231445 2.241408230 2.722749573 10 0 1 -0.820000 8.949186145 2.984544751 5.443293722 11 0 1 -0.820000 8.375185949 7.137462283 1.885932640 12 0 1 -0.820000 5.852626881 7.098307138 1.426691905 13 0 1 -0.820000 2.764559196 6.771544370 1.303768154 14 0 1 -0.820000 4.177237244 8.587767142 3.097938558 15 0 1 -0.820000 4.104629842 6.699328698 8.538717243 16 0 1 -0.820000 8.580728351 8.757787863 4.264963041 17 0 1 -0.820000 1.034189422 4.626775869 5.607226436 18 0 1 -0.820000 1.021208784 8.270965434 7.219343733 19 0 1 -0.820000 6.857774790 6.277691385 4.446329239 20 0 2 0.410000 2.617003150 2.599785492 7.990709345 21 0 2 0.410000 4.097002786 1.859785391 7.250709245 22 0 2 0.410000 5.021468717 3.889880820 7.740222228 23 0 2 0.410000 6.501468352 3.149880719 7.000222127 24 0 2 0.410000 6.948926087 3.769319017 2.097676403 25 0 2 0.410000 8.428925723 3.029318917 1.357676302 26 0 2 0.410000 3.419863082 4.297045320 6.134744941 27 0 2 0.410000 4.899862718 3.557045220 5.394744841 28 0 2 0.410000 1.462660345 3.775141637 3.902750822 29 0 2 0.410000 2.942659981 3.035141537 3.162750721 30 0 2 0.410000 6.728640372 2.082591050 8.116257246 31 0 2 0.410000 8.208640008 1.342590949 7.376257146 32 0 2 0.410000 1.411605086 3.686291872 1.794228033 33 0 2 0.410000 2.891604721 2.946291772 1.054227932 34 0 2 0.410000 6.008099431 3.878666001 4.619358150 35 0 2 0.410000 7.488099067 3.138665900 3.879358049 36 0 2 0.410000 4.395231819 2.981408330 3.462749674 37 0 2 0.410000 5.875231455 2.241408230 2.722749573 38 0 2 0.410000 8.579186518 3.724544852 6.183293823 39 0 2 0.410000 10.059186154 2.984544751 5.443293722 40 0 2 0.410000 8.005186323 7.877462383 2.625932741 41 0 2 0.410000 9.485185958 7.137462283 1.885932640 42 0 2 0.410000 5.482627255 7.838307238 2.166692006 43 0 2 0.410000 6.962626891 7.098307138 1.426691905 44 0 2 0.410000 2.394559570 7.511544470 2.043768254 45 0 2 0.410000 3.874559206 6.771544370 1.303768154 46 0 2 0.410000 3.807237617 9.327767243 3.837938659 47 0 2 0.410000 5.287237253 8.587767142 3.097938558 48 0 2 0.410000 3.734630216 7.439328799 9.278717344 49 0 2 0.410000 5.214629852 6.699328698 8.538717243 50 0 2 0.410000 8.210728724 9.497787964 5.004963142 51 0 2 0.410000 9.690728360 8.757787863 4.264963041 52 0 2 0.410000 0.664189796 5.366775969 6.347226536 53 0 2 0.410000 2.144189432 4.626775869 5.607226436 54 0 2 0.410000 0.651209158 9.010965535 7.959343833 55 0 2 0.410000 2.131208794 8.270965434 7.219343733 56 0 2 0.410000 6.487775164 7.017691486 5.186329340 57 0 2 0.410000 7.967774799 6.277691385 4.446329239 58 0 1 -0.820000 5.088154786 4.896695423 3.919779894 59 0 2 0.410000 4.718155160 5.636695524 4.659779995 60 0 2 0.410000 6.198154796 4.896695423 3.919779894 61 1 1 -0.820000 2.987002777 1.859785391 17.250709245 62 1 1 -0.820000 5.391468343 3.149880719 17.000222127 63 1 1 -0.820000 7.318925714 3.029318917 11.357676302 64 1 1 -0.820000 3.789862709 3.557045220 15.394744841 65 1 1 -0.820000 1.832659972 3.035141537 13.162750721 66 1 1 -0.820000 7.098639998 1.342590949 17.376257146 67 1 1 -0.820000 1.781604712 2.946291772 11.054227932 68 1 1 -0.820000 6.378099057 3.138665900 13.879358049 69 1 1 -0.820000 4.765231445 2.241408230 12.722749573 70 1 1 -0.820000 8.949186145 2.984544751 15.443293722 71 1 1 -0.820000 8.375185949 7.137462283 11.885932640 72 1 1 -0.820000 5.852626881 7.098307138 11.426691905 73 1 1 -0.820000 2.764559196 6.771544370 11.303768154 74 1 1 -0.820000 4.177237244 8.587767142 13.097938558 75 1 1 -0.820000 4.104629842 6.699328698 18.538717243 76 1 1 -0.820000 8.580728351 8.757787863 14.264963041 77 1 1 -0.820000 1.034189422 4.626775869 15.607226436 78 1 1 -0.820000 1.021208784 8.270965434 17.219343733 79 1 1 -0.820000 6.857774790 6.277691385 14.446329239 80 1 2 0.410000 2.617003150 2.599785492 17.990709345 81 1 2 0.410000 4.097002786 1.859785391 17.250709245 82 1 2 0.410000 5.021468717 3.889880820 17.740222228 83 1 2 0.410000 6.501468352 3.149880719 17.000222127 84 1 2 0.410000 6.948926087 3.769319017 12.097676403 85 1 2 0.410000 8.428925723 3.029318917 11.357676302 86 1 2 0.410000 3.419863082 4.297045320 16.134744941 87 1 2 0.410000 4.899862718 3.557045220 15.394744841 88 1 2 0.410000 1.462660345 3.775141637 13.902750822 89 1 2 0.410000 2.942659981 3.035141537 13.162750721 90 1 2 0.410000 6.728640372 2.082591050 18.116257246 91 1 2 0.410000 8.208640008 1.342590949 17.376257146 92 1 2 0.410000 1.411605086 3.686291872 11.794228033 93 1 2 0.410000 2.891604721 2.946291772 11.054227932 94 1 2 0.410000 6.008099431 3.878666001 14.619358150 95 1 2 0.410000 7.488099067 3.138665900 13.879358049 96 1 2 0.410000 4.395231819 2.981408330 13.462749674 97 1 2 0.410000 5.875231455 2.241408230 12.722749573 98 1 2 0.410000 8.579186518 3.724544852 16.183293823 99 1 2 0.410000 10.059186154 2.984544751 15.443293722 100 1 2 0.410000 8.005186323 7.877462383 12.625932741 101 1 2 0.410000 9.485185958 7.137462283 11.885932640 102 1 2 0.410000 5.482627255 7.838307238 12.166692006 103 1 2 0.410000 6.962626891 7.098307138 11.426691905 104 1 2 0.410000 2.394559570 7.511544470 12.043768254 105 1 2 0.410000 3.874559206 6.771544370 11.303768154 106 1 2 0.410000 3.807237617 9.327767243 13.837938659 107 1 2 0.410000 5.287237253 8.587767142 13.097938558 108 1 2 0.410000 3.734630216 7.439328799 19.278717344 109 1 2 0.410000 5.214629852 6.699328698 18.538717243 110 1 2 0.410000 8.210728724 9.497787964 15.004963142 111 1 2 0.410000 9.690728360 8.757787863 14.264963041 112 1 2 0.410000 0.664189796 5.366775969 16.347226536 113 1 2 0.410000 2.144189432 4.626775869 15.607226436 114 1 2 0.410000 0.651209158 9.010965535 17.959343833 115 1 2 0.410000 2.131208794 8.270965434 17.219343733 116 1 2 0.410000 6.487775164 7.017691486 15.186329340 117 1 2 0.410000 7.967774799 6.277691385 14.446329239 118 1 1 -0.820000 5.088154786 4.896695423 13.919779894 119 1 2 0.410000 4.718155160 5.636695524 14.659779995 120 1 2 0.410000 6.198154796 4.896695423 13.919779894 121 2 1 -0.820000 2.987002777 1.859785391 27.250709245 122 2 1 -0.820000 5.391468343 3.149880719 27.000222127 123 2 1 -0.820000 7.318925714 3.029318917 21.357676302 124 2 1 -0.820000 3.789862709 3.557045220 25.394744841 125 2 1 -0.820000 1.832659972 3.035141537 23.162750721 126 2 1 -0.820000 7.098639998 1.342590949 27.376257146 127 2 1 -0.820000 1.781604712 2.946291772 21.054227932 128 2 1 -0.820000 6.378099057 3.138665900 23.879358049 129 2 1 -0.820000 4.765231445 2.241408230 22.722749573 130 2 1 -0.820000 8.949186145 2.984544751 25.443293722 131 2 1 -0.820000 8.375185949 7.137462283 21.885932640 132 2 1 -0.820000 5.852626881 7.098307138 21.426691905 133 2 1 -0.820000 2.764559196 6.771544370 21.303768154 134 2 1 -0.820000 4.177237244 8.587767142 23.097938558 135 2 1 -0.820000 4.104629842 6.699328698 28.538717243 136 2 1 -0.820000 8.580728351 8.757787863 24.264963041 137 2 1 -0.820000 1.034189422 4.626775869 25.607226436 138 2 1 -0.820000 1.021208784 8.270965434 27.219343733 139 2 1 -0.820000 6.857774790 6.277691385 24.446329239 140 2 2 0.410000 2.617003150 2.599785492 27.990709345 141 2 2 0.410000 4.097002786 1.859785391 27.250709245 142 2 2 0.410000 5.021468717 3.889880820 27.740222228 143 2 2 0.410000 6.501468352 3.149880719 27.000222127 144 2 2 0.410000 6.948926087 3.769319017 22.097676403 145 2 2 0.410000 8.428925723 3.029318917 21.357676302 146 2 2 0.410000 3.419863082 4.297045320 26.134744941 147 2 2 0.410000 4.899862718 3.557045220 25.394744841 148 2 2 0.410000 1.462660345 3.775141637 23.902750822 149 2 2 0.410000 2.942659981 3.035141537 23.162750721 150 2 2 0.410000 6.728640372 2.082591050 28.116257246 151 2 2 0.410000 8.208640008 1.342590949 27.376257146 152 2 2 0.410000 1.411605086 3.686291872 21.794228033 153 2 2 0.410000 2.891604721 2.946291772 21.054227932 154 2 2 0.410000 6.008099431 3.878666001 24.619358150 155 2 2 0.410000 7.488099067 3.138665900 23.879358049 156 2 2 0.410000 4.395231819 2.981408330 23.462749674 157 2 2 0.410000 5.875231455 2.241408230 22.722749573 158 2 2 0.410000 8.579186518 3.724544852 26.183293823 159 2 2 0.410000 10.059186154 2.984544751 25.443293722 160 2 2 0.410000 8.005186323 7.877462383 22.625932741 161 2 2 0.410000 9.485185958 7.137462283 21.885932640 162 2 2 0.410000 5.482627255 7.838307238 22.166692006 163 2 2 0.410000 6.962626891 7.098307138 21.426691905 164 2 2 0.410000 2.394559570 7.511544470 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1 -0.820000 8.580728351 18.757787863 14.264963041 257 4 1 -0.820000 1.034189422 14.626775869 15.607226436 258 4 1 -0.820000 1.021208784 18.270965434 17.219343733 259 4 1 -0.820000 6.857774790 16.277691385 14.446329239 260 4 2 0.410000 2.617003150 12.599785492 17.990709345 261 4 2 0.410000 4.097002786 11.859785391 17.250709245 262 4 2 0.410000 5.021468717 13.889880820 17.740222228 263 4 2 0.410000 6.501468352 13.149880719 17.000222127 264 4 2 0.410000 6.948926087 13.769319017 12.097676403 265 4 2 0.410000 8.428925723 13.029318917 11.357676302 266 4 2 0.410000 3.419863082 14.297045320 16.134744941 267 4 2 0.410000 4.899862718 13.557045220 15.394744841 268 4 2 0.410000 1.462660345 13.775141637 13.902750822 269 4 2 0.410000 2.942659981 13.035141537 13.162750721 270 4 2 0.410000 6.728640372 12.082591050 18.116257246 271 4 2 0.410000 8.208640008 11.342590949 17.376257146 272 4 2 0.410000 1.411605086 13.686291872 11.794228033 273 4 2 0.410000 2.891604721 12.946291772 11.054227932 274 4 2 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