LAMMPS data file via write_data, version 2 Aug 2023, timestep = 1163, units = metal

12 atoms
4 atom types
6 bonds
2 bond types

0.06434405512610211 3.4534947130119655 xlo xhi
0.08228926384426956 4.0550887148851125 ylo yhi
0.030044054821339983 5.915605926612257 zlo zhi
-1.1146823849001538e-08 1.1736004813504159e-07 1.4172465132592959e-06 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 0.0643444412869204 0.7010044954701085 4.147699481955431 0 0 0
2 0 1 -3.24 0.06434415659085059 3.436374590560504 1.2049185593050065 0 0 0
3 0 3 1.38 0.06434410822792928 1.5021652760017492 2.093420270920073 0 0 0
4 0 3 1.38 3.4534947836469647 2.6352138489793 5.036201480299388 -1 0 0
5 0 3 1.38 1.7589195016948094 3.6491286589097904 2.8732432967707204 0 0 0
6 0 3 1.38 1.7589195824718324 0.4882507455138574 5.816024048577159 0 0 0
7 0 2 5.24 0.06434444365589528 0.7013894680293097 4.148207366592333 0 0 0
8 0 2 5.24 0.0643441609759654 3.4359896263001866 1.2054264383473763 0 0 0
9 0 4 -2.38 0.06434411851152709 1.5001715012595884 2.0943161560732104 0 0 0
10 0 4 -2.38 3.45349479422949 2.6372076367591446 5.0370973582237495 -1 0 0
11 0 4 -2.38 1.7589194994933421 3.6586375682923444 2.8704117873941626 0 0 0
12 0 4 -2.38 1.7589195772636985 0.47874182207297905 5.813192553189051 0 0 0

Velocities

1 -5.476867962753314e-06 0.04872179403744976 0.013565940207150094
2 -2.252813591500738e-05 -0.04872113617410998 0.013570075818935183
3 7.358007254616701e-06 -0.02770312081533919 -0.020837574548714148
4 -5.330257900454207e-06 0.027703482128238203 -0.020850084776212766
5 3.2558177812731802e-06 -0.04540284667237959 0.005642179680203333
6 4.762962126855698e-06 0.04539732588519235 0.005650032286436763
7 3.8351163562837793e-07 0.0502145026429802 0.01449638962527276
8 1.1825299136799664e-06 -0.05019826068499274 0.014470085728148185
9 3.0443501324496127e-06 -0.027855922219786063 -0.02114287012494688
10 1.2156011438012136e-06 0.027843046115788923 -0.021127108879503365
11 6.435430618698605e-06 -0.04754785081847482 0.003936363679204686
12 9.715618597561187e-06 0.04754379048786091 0.003931905526807148

Bonds

1 2 1 7
2 2 2 8
3 1 3 9
4 1 4 10
5 1 5 11
6 1 6 12