LAMMPS data file via write_data, version 2 Aug 2023, timestep = 345, units = metal

6 atoms
4 atom types
3 bonds
2 bond types

0.06195973385290735 3.663135569272035 xlo xhi
0.06195973385290808 3.663135569272035 ylo yhi
0.015745479073344063 2.985000893426654 zlo zhi
1.2313092043954135e-15 -1.903952108230571e-15 -5.036990224115495e-16 xy xz yz

Atom Type Labels

1 CaC
2 CaS
3 FC
4 FS

Bond Type Labels

1 FC-FS
2 CaC-CaS

Masses

1 36.072
2 4.008
3 17.098562844
4 1.899840316

Pair Coeffs # born/coul/long/cs

1 0 1 0 0 0
2 0 1 0 0 0
3 0 1 0 0 0
4 1801.01 0.293 0 109.1 0

Bond Coeffs # harmonic

1 101.2 0
2 309.9 0

Atoms # full

1 0 1 -3.24 0.06195973385290735 0.06195973385290808 0.015745479073344063 0 0 0
2 0 3 1.38 0.06195973385290703 1.8625476515624682 1.5003731862499987 0 0 0
3 0 3 1.38 1.8625476515624855 0.06195973385290783 1.5003731862499987 0 0 0
4 0 2 5.24 0.061959733852907366 0.06195973385290808 0.015745479073344094 0 0 0
5 0 4 -2.38 0.06195973385290703 1.8625476515624682 1.5003731862499987 0 0 0
6 0 4 -2.38 1.8625476515624855 0.06195973385290783 1.5003731862499987 0 0 0

Velocities

1 5.0127237732172403e-14 -1.2175454662435241e-15 1.0536222717639081e-13
2 3.2577315071133196e-15 -3.132434141455115e-16 4.792624236426326e-15
3 -3.320380189942422e-15 -3.6022992626733823e-16 2.5216094838713677e-15
4 -3.185811649234275e-13 -2.6726607795589556e-14 -8.830471215662789e-13
5 -1.465979178200994e-14 6.202219600081128e-14 1.1276762909238414e-15
6 -2.582378706215597e-13 2.396312118213163e-14 1.3814034563817057e-14

Bonds

1 2 1 4
2 1 2 5
3 1 3 6