# LAMMPS data file 16 atoms 16 ellipsoids 14 bonds 4 atom types 1 bond types # System size 0.000000 20.000000 xlo xhi 0.000000 20.000000 ylo yhi 0.000000 20.000000 zlo zhi Masses 1 3.1575 2 3.1575 3 3.1575 4 3.1575 # Atom-ID, type, position, molecule-ID, ellipsoid flag, density Atoms 1 1 1.555868601500000e+01 9.327746519690001e+00 1.740072261950000e+01 1 1 1 2 3 1.587203252720000e+01 9.763415784350000e+00 1.737442894620000e+01 1 1 1 3 2 1.605138931470000e+01 1.024657508090000e+01 1.752632805430000e+01 1 1 1 4 4 1.614557963680000e+01 1.064647321930000e+01 1.787258628770000e+01 1 1 1 5 2 1.623578291710000e+01 1.086399131560000e+01 1.835552970900000e+01 1 1 1 6 2 1.640469332290000e+01 1.086929971300000e+01 1.886555539250000e+01 1 1 1 7 1 1.670510286860000e+01 1.071319076730000e+01 1.928277140850000e+01 1 1 1 8 2 1.713984484690000e+01 1.050778198170000e+01 1.952254577160000e+01 1 1 1 9 3 1.759326310320000e+01 1.093707341650000e+01 1.849779177730000e+01 2 1 1 10 4 1.741227065470000e+01 1.045366104710000e+01 1.834866325280000e+01 2 1 1 11 3 1.709694577360000e+01 1.001954851760000e+01 1.837697638120000e+01 2 1 1 12 3 1.665012175260000e+01 9.746853331260001e+00 1.849809917700000e+01 2 1 1 13 1 1.612459060610000e+01 9.686367843799999e+00 1.859213971060000e+01 2 1 1 14 3 1.560304650140000e+01 9.808262398480000e+00 1.854949505640000e+01 2 1 1 15 2 1.516666886200000e+01 1.001341811130000e+01 1.831249127690000e+01 2 1 1 16 4 1.486428094740000e+01 1.017108379220000e+01 1.789729471590000e+01 2 1 1 # Atom-ID, translational, rotational velocity Velocities 1 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 2 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 3 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 4 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 5 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 6 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 7 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 8 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 9 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 10 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 11 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 12 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 13 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 14 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 15 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 16 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 0.000000000000000e+00 # Atom-ID, shape, quaternion Ellipsoids 1 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 2.759833058363645e-01 3.667393762083170e-01 3.406667382569866e-01 8.205373960297678e-01 2 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 9.671149726124194e-03 4.538776726309783e-01 2.110607848547155e-01 8.656528589721015e-01 3 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -2.575824769045076e-01 4.968317240930596e-01 6.090841116799247e-02 8.264984397900866e-01 4 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -4.997608730415329e-01 4.914200243294680e-01 -9.517329617284410e-02 7.068857567955277e-01 5 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 6.932883701200924e-01 -4.381693934114134e-01 2.419900396579633e-01 -5.184589079570696e-01 6 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 8.193253845842962e-01 -3.422636926804935e-01 3.652494507717708e-01 -2.795609371128728e-01 7 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 8.656024203634226e-01 -2.130391843712408e-01 4.529524285604339e-01 -1.344816882056156e-02 8 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 8.276144841336460e-01 -6.307566183857234e-02 4.965612323773009e-01 2.539737565886701e-01 9 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -4.965612323773010e-01 -2.539737565886702e-01 8.276144841336462e-01 -6.307566183857236e-02 10 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -4.529524285604339e-01 1.344816882056156e-02 8.656024203634226e-01 -2.130391843712408e-01 11 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -3.652494507717708e-01 2.795609371128728e-01 8.193253845842962e-01 -3.422636926804935e-01 12 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -2.419900396582725e-01 5.184589079567070e-01 6.932883701202278e-01 -4.381693934114575e-01 13 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 -9.517329617284412e-02 7.068857567955278e-01 4.997608730415330e-01 -4.914200243294681e-01 14 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 6.090841116799247e-02 8.264984397900866e-01 2.575824769045076e-01 -4.968317240930596e-01 15 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 2.110607848547155e-01 8.656528589721014e-01 -9.671149726124194e-03 -4.538776726309783e-01 16 1.173984503142341e+00 1.173984503142341e+00 1.173984503142341e+00 3.406667382569866e-01 8.205373960297679e-01 -2.759833058363645e-01 -3.667393762083169e-01 # Bond topology Bonds 1 1 1 2 2 1 2 3 3 1 3 4 4 1 4 5 5 1 5 6 6 1 6 7 7 1 7 8 8 1 9 10 9 1 10 11 10 1 11 12 11 1 12 13 12 1 13 14 13 1 14 15 14 1 15 16