LAMMPS data file via write_data, version 2 Aug 2023, timestep = 12957, units = metal

18 atoms
4 atom types
9 bonds
2 bond types

0.0491208747231582 3.8327721252768674 xlo xhi
0.04253350420866366 3.319284448564317 ylo yhi
0.10499971030643648 9.364116789693565 zlo zhi
-1.8988285275289982 -0.0012283360708108156 1.8649643345279055e-05 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 1.932715691185136 3.319302352177566 9.364106730161083 -1 -1 -1
2 0 1 -3.24 1.9382051758514856 1.1347908865609821 3.1913600462906637 0 0 0
3 0 1 -3.24 0.0436349155099327 2.2270483326611785 6.27773612967564 0 0 0
4 0 3 1.38 0.04914957932603327 0.04255642859836877 7.048414745665211 0 0 0
5 0 3 1.38 1.932690256334872 3.3192814729547164 2.4206931319063814 -1 -1 0
6 0 3 1.38 1.939459526348123 1.1347937934477472 0.8756681812064622 0 0 0
7 0 3 1.38 1.936949210281875 1.1347876318271664 5.5070670108013875 0 0 0
8 0 3 1.38 0.044890870764162656 2.227050345227891 3.962040675725256 0 0 0
9 0 3 1.38 0.04237938596577607 2.2270437726652896 8.593439607356748 0 0 0
10 0 2 5.24 1.9327156910248735 3.319302352090054 9.364106729852281 -1 -1 -1
11 0 2 5.24 1.9382051760099563 1.1347908870117065 3.1913600452284236 0 0 0
12 0 2 5.24 0.04363491554239439 2.227048332730833 6.277736128971883 0 0 0
13 0 4 -2.38 0.04901494828834658 0.0425558108788056 7.048508340933717 0 0 0
14 0 4 -2.38 1.9328248246358357 3.3192819786857406 2.4205996211662524 -1 -1 0
15 0 4 -2.38 1.9393249608112098 1.1347932805256788 0.8757616829355462 0 0 0
16 0 4 -2.38 1.9370837917834678 1.1347881165351317 5.506973847493283 0 0 0
17 0 4 -2.38 0.04475626081236176 2.227049801364425 3.9621339440150547 0 0 0
18 0 4 -2.38 0.04251400983221086 2.2270443623408047 8.593346174446182 0 0 0

Velocities

1 2.926959191154372e-06 2.7695666235162296e-06 1.0550217650169887e-05
2 -1.0500093611881488e-06 -1.0389022778213761e-06 1.9694909461337313e-05
3 8.750929641486114e-07 -6.136912559348209e-07 4.732706762612301e-06
4 -0.0011050887949824325 -2.097252724078955e-05 0.001954303602538571
5 0.0011012874159833821 1.5041383114506776e-05 -0.0019724899962175325
6 -0.0011026314740102204 -1.7749506171513614e-05 0.001943832279732873
7 0.0010985423526415172 1.3358922681376971e-05 -0.0019518624449135532
8 -0.0011014678237080903 -1.6796742728872555e-05 0.001935698957322707
9 0.001101256675954905 1.6767911764430422e-05 -0.0019656731728568163
10 2.5555664406698696e-06 2.8710605015153324e-06 1.278014179358031e-05
11 -1.3030770343060796e-06 -3.029544306284717e-06 2.416100541672828e-05
12 -5.17182951332464e-07 -4.4327982842431834e-06 7.3997665239083205e-06
13 -0.00023474994877179 6.2700373214596385e-06 0.0006835926556610343
14 0.00024229278233994065 1.378636160901442e-05 -0.000689132832021677
15 -0.00024198786663032296 -9.708191540592824e-06 0.0007096994681863557
16 0.0002490784080151439 1.754359267504239e-05 -0.0007413244486002827
17 -0.0002417138333079507 -3.671989269763615e-06 0.0007320778093875933
18 0.00023988737972112373 3.0178230618127127e-06 -0.0007023010743791114

Bonds

1 2 1 10
2 2 2 11
3 2 3 12
4 1 4 13
5 1 5 14
6 1 6 15
7 1 7 16
8 1 8 17
9 1 9 18