LAMMPS data file from restart file: timestep = 19, procs = 2 2352 atoms 2451 bonds 4400 angles 6691 dihedrals 650 impropers 9 atom types 15 bond types 33 angle types 51 dihedral types 4 improper types -9.9078622409606154e-001 2.7990786224096059e+001 xlo xhi -9.9077688833908772e-001 2.7990776888339091e+001 ylo yhi -9.9079082750462344e-001 2.7990790827504622e+001 zlo zhi 1.0976839760479683e-006 5.9190680006827617e-006 -7.0507766464068770e-006 xy xz yz Masses 1 12.0112 2 1.00797 3 12.0112 4 12.0112 5 12.0112 6 12.0112 7 12.0112 8 15.9994 9 15.9994 Pair Coeffs 1 0.148 3.61705 2 0.038 2.44997 3 0.039 3.87541 4 0.039 3.87541 5 0.039 3.87541 6 0.16 3.47451 7 0.148 3.61705 8 0.228 2.85978 9 0.228 2.85978 Bond Coeffs 1 480 1.34 2 283.092 1.51 3 363.416 1.08 4 340.618 1.105 5 322.716 1.526 6 322.716 1.526 7 340.618 1.105 8 340.618 1.105 9 322.716 1.526 10 322.716 1.526 11 283.092 1.52 12 400 1.37 13 615.322 1.23 14 273.2 1.425 15 283.092 1.52 Angle Coeffs 1 90 120 2 44.2 120 3 37 120 4 44.4 110 5 46.6 110.5 6 46.6 110.5 7 44.4 110 8 44.4 110 9 46.6 110.5 10 44.4 110 11 39.5 106.4 12 46.6 110.5 13 46.6 110.5 14 44.4 110 15 39.5 106.4 16 46.6 110.5 17 44.4 110 18 46.6 110.5 19 46.6 110.5 20 46.6 110.5 21 46.6 110.5 22 122.8 110 23 68 120 24 145 123 25 60 109.5 26 57 109.5 27 44.4 110 28 46.6 110.5 29 46.6 110.5 30 45 109.5 31 46.6 110.5 32 122.8 110 33 68 120 Dihedral Coeffs 1 3 -1 2 2 3 -1 2 3 3 -1 2 4 3 -1 2 5 0 1 2 6 0 1 2 7 0 1 2 8 3 -1 2 9 0.1581 1 3 10 0.1581 1 3 11 0.1581 1 3 12 0.1581 1 3 13 0.1581 1 3 14 0.1581 1 3 15 0.1581 1 3 16 0.1581 1 3 17 0.1581 1 3 18 0.1581 1 3 19 0.1581 1 3 20 0.1581 1 3 21 0.1581 1 3 22 0.1581 1 3 23 0.1581 1 3 24 0.1581 1 3 25 0.1581 1 3 26 0.1581 1 3 27 0.1581 1 3 28 0.1581 1 3 29 0.1581 1 3 30 0.1581 1 3 31 0.1581 1 3 32 0.1581 1 3 33 0.1581 1 3 34 0 1 0 35 0 1 0 36 0 1 0 37 0 1 0 38 2.25 -1 2 39 2.25 -1 2 40 0.13 1 3 41 0.1581 1 3 42 0.1581 1 3 43 0.1581 1 3 44 0.1581 1 3 45 0 1 0 46 0 1 0 47 0 1 0 48 0 1 0 49 0 1 0 50 0 1 0 51 2.25 -1 2 Improper Coeffs 1 0.37 -1 2 2 0.37 -1 2 3 11.6 -1 2 4 11.6 -1 2 Atoms 926 0 2 1.0000000000000001e-001 2.3351619534045536e+001 3.0373350736279439e+000 1.3033074299654961e+001 -49 25 53 899 0 1 -1.0000000000000001e-001 2.4197463935047686e+001 3.9047527876804167e+000 8.2774558032796168e+000 -49 25 53 927 0 5 -2.0000000000000001e-001 2.4219621176165514e+001 3.1587857715494452e+000 1.1092223862952606e+001 -49 25 53 907 0 1 -1.0000000000000001e-001 2.2100653518580458e+001 2.9743118623516849e+000 8.1290410553810108e+000 -49 25 53 972 0 2 1.0000000000000001e-001 2.7406129116890430e+001 4.7806102018031496e+000 1.0465459184179094e+001 -49 25 53 900 0 2 1.0000000000000001e-001 2.4975341296486576e+001 4.3731748059563902e+000 8.8581227932131252e+000 -49 25 53 898 0 1 0.0000000000000000e+000 2.3100618746523725e+001 3.4587598621122515e+000 8.8707059260667531e+000 -49 25 53 928 0 2 1.0000000000000001e-001 2.4849384645923543e+001 2.5616664632192618e+000 1.0417021218389992e+001 -49 25 53 901 0 1 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6.7891806342769518e+000 -49 25 53 912 0 2 1.0000000000000001e-001 2.2431418748797082e+001 4.8370029876612008e+000 1.2018122047548188e+001 -49 25 53 852 0 2 1.0000000000000001e-001 2.5324276605584444e+001 8.9832091402856555e+000 6.9980543254613661e+000 -49 25 53 968 0 2 1.0000000000000001e-001 2.6071722031953684e+001 8.5120815047978322e+000 9.0780204418959194e+000 -49 25 53 970 0 2 1.0000000000000001e-001 2.6384117144132240e+001 6.1218996434211936e+000 8.7396773743509986e+000 -49 25 53 878 0 2 1.0000000000000001e-001 2.3638730882793666e+001 7.5539397472051890e+000 8.3536375791558015e+000 -49 25 53 964 0 2 1.0000000000000001e-001 -8.5165379798777907e-001 8.2667885924651507e+000 1.2697619099580614e+001 -48 25 53 854 0 2 1.0000000000000001e-001 2.7491607877955246e+001 8.0687299136506496e+000 6.6764746579303731e+000 -49 25 53 877 0 3 -1.0000000000000001e-001 2.2535004374169109e+001 7.6618049917925983e+000 8.2593106414342987e+000 -49 25 53 965 0 1 -1.0000000000000001e-001 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