Generated by yaff2lammps 152 atoms 184 bonds 736 angles 288 dihedrals 64 impropers 8 atom types 8 bond types 34 angle types 9 dihedral types 3 improper types 0.0000000000000000000000000000000000 13.3259954452999984653160936431959271 xlo xhi 0.0000000000000000000000000000000000 17.0769005354000000806991010904312134 ylo yhi 0.0000000000000000000000000000000000 12.5451650575000002163505996577441692 zlo zhi 0.2406519637999999794431005284423009 -0.0003290864999999999263892436207612 0.0000597691999999999968857904153463 xy xz yz Masses 1 15.99940000 # O_HY 2 15.99940000 # O_CA 3 1.00794000 # H_HY 4 1.00794000 # H_PH 5 26.98153860 # AL 6 12.01070000 # C_PH 7 12.01070000 # C_PC 8 12.01070000 # C_CA Bond Coeffs 1 567.89714613 0.99006574 2 149.93642745 1.86984652 3 111.04240192 1.91161348 4 389.90538840 1.09141352 5 491.67603879 1.38895490 6 451.37211172 1.40304450 7 668.04674737 1.27972749 8 320.55756064 1.49110450 Angle Coeffs 1 cosine/periodic 2.83639133 1 4 2 cross 6.00819953 13.51503788 20.21646410 1.85789452 0.98840688 111.64709450 3 cross 6.00819953 20.21646410 13.51503788 0.98840688 1.85789452 111.64709450 4 cross 44.73850113 10.65965583 10.65965583 1.85789452 1.85789452 128.05371526 5 cross 79.26686011 18.67531488 42.84377495 1.90495331 1.27905582 132.82471928 6 cross 79.26686011 42.84377495 18.67531488 1.27905582 1.90495331 132.82471928 7 cross -6.85938357 0.00000000 0.00000000 1.85789452 1.85789452 0.00000000 8 cross 20.15880651 47.33122583 34.90884408 1.90495331 1.85789452 89.96038503 9 cross 20.15880651 34.90884408 47.33122583 1.85789452 1.90495331 89.96038503 10 cross 26.34746514 0.00000000 0.00000000 1.90495331 1.90495331 0.00000000 11 cross 29.49811022 32.88373608 17.10597622 1.09150478 1.40308083 119.48992692 12 cross 29.49811022 17.10597622 32.88373608 1.40308083 1.09150478 119.48992692 13 cross 130.12394367 9.80817840 18.96121618 1.40308083 1.38855980 120.04435536 14 cross 130.12394367 18.96121618 9.80817840 1.38855980 1.40308083 120.04435536 15 cross 26.93982909 21.36148219 26.91818347 1.38855980 1.09150478 120.51713090 16 cross 26.93982909 26.91818347 21.36148219 1.09150478 1.38855980 120.51713090 17 cross 69.39565871 31.02625485 12.91121121 1.49380304 1.40308083 120.04236743 18 cross 69.39565871 12.91121121 31.02625485 1.40308083 1.49380304 120.04236743 19 cross 132.39591455 8.36520076 8.36520076 1.40308083 1.40308083 119.90683966 20 cross 101.87765421 105.70691653 47.75221042 1.27905582 1.49380304 117.59476167 21 cross 101.87765421 47.75221042 105.70691653 1.49380304 1.27905582 117.59476167 22 cross 183.45287073 91.94550669 91.94550669 1.27905582 1.27905582 124.82435184 23 harmonic 16.58040240 109.62517017 24 harmonic 17.35339453 114.44875517 25 harmonic 17.77569321 132.30806010 26 harmonic 31.05808424 89.91290461 27 harmonic 35.90327756 119.61990442 28 harmonic 65.78425626 120.00645318 29 harmonic 31.59874504 120.45871258 30 harmonic 43.33676649 120.04493381 31 harmonic 62.87326877 119.94842490 32 harmonic 75.47920221 117.59298491 33 harmonic 76.76979213 124.86144100 34 cosine/squared 1689.15160421 180.00000000 Dihedral Coeffs 1 1 3.73165017 2 -180.00000000 2 1 2.24530337 2 -180.00000000 3 1 4.66917332 2 -180.00000000 4 1 3.98899930 2 -180.00000000 5 1 3.29635668 2 -180.00000000 6 1 1.54619053 2 -180.00000000 7 1 3.86252462 2 -180.00000000 8 1 2.05124797 2 -180.00000000 9 1 2.35456853 2 -180.00000000 Improper Coeffs 1 9.10278571 0.00000000 2 167.11786187 0.00000000 3 18.17859622 0.00000000 Pair Coeffs 1 0.059000000000 1.820000000000 1.132500000000 # O_HY 2 0.059000000000 1.820000000000 1.132500000000 # O_CA 3 0.016000000000 1.600000000000 0.730800000000 # H_HY 4 0.020000000000 1.620000000000 0.730800000000 # H_PH 5 0.116000000000 2.360000000000 1.674200000000 # AL 6 0.056000000000 1.940000000000 1.170300000000 # C_PH 7 0.056000000000 1.940000000000 1.170300000000 # C_PC 8 0.056000000000 1.940000000000 1.170300000000 # C_CA Atoms 1 1 1 -1.2098756939999999460155777342151850 6.7153870720493431534237060986924917 4.2828041318282634719594170746859163 8.5866133816897338704166031675413251 2 1 1 -1.2098756939999999460155777342151850 13.3783843949194771738575582276098430 4.2828041318282634719594170746859163 8.5866133816897338704166031675413251 3 1 1 -1.2098756939999999460155777342151850 3.5035237129981489090368995675817132 12.8223120918310673488349493709392846 2.3141018836642901490563417610246688 4 1 1 -1.2098756939999999460155777342151850 10.1665216355380785273609944852069020 12.8223120918310673488349493709392846 2.3141018836642901490563417610246688 5 1 1 -1.2098756939999999460155777342151850 6.8349996196255871083735655702184886 12.8213427865959719298416530364193022 3.9586200971404887916094139654887840 6 1 1 -1.2098756939999999460155777342151850 13.4979977420554568823263252852484584 12.8213427865959701534848136361688375 3.9586200971404887916094139654887840 7 1 1 -1.2098756939999999460155777342151850 3.3839079367670850118088310409802943 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