LAMMPS data file. C3_nve. Made by SBaek 12 atoms 8 bonds 4 angles 2 atom types 1 bond types 1 angle types 0.0000 50 xlo xhi 0.0000 50 ylo yhi 0.0000 50 zlo zhi Masses 1 15.035 # CH3(sp3) 2 14.027 Pair Coeffs # metal units 1 0.00844 3.7500 # CH3(sp3) 2 0.0039639 3.9500 # CH2(sp3) Bond Coeffs 1 14.35 1.54 # CH3-CH2 Angle Coeffs 1 2.6929 114 # CH3-CH2-CH3 # CH3-CH2-CH2 # CH2-CH2-CH2 Atoms 1 1 1 0 14.0989 17.0262 6.59279 2 1 2 0 14.7373 16.0895 6.93905 3 1 1 0 13.7524 14.8756 9.31852 4 2 1 0 41.9768 38.7598 11.0428 5 2 2 0 42.6195 41.3824 13.3184 6 2 1 0 41.625 42.0201 13.9052 7 3 1 0 7.90242 34.9459 33.0458 8 3 2 0 7.76476 35.8508 32.756 9 3 1 0 6.94392 36.3968 33.2216 10 4 1 0 22.3231 6.21896 16.9175 11 4 2 0 21.4094 4.37589 16.0376 12 4 1 0 21.1443 2.88071 17.4287 Bonds 1 1 1 2 2 1 2 3 3 1 4 5 4 1 5 6 5 1 7 8 6 1 8 9 7 1 10 11 8 1 11 12 Angles 1 1 1 2 3 2 1 4 5 6 3 1 7 8 9 4 1 10 11 12