LAMMPS data file via write_data, version 2 Aug 2023, timestep = 999, units = real

10 atoms
3 atom types
4 bonds
1 bond types

-2.700172001096724 2.700172001096724 xlo xhi
-1.5589481037418298 1.5589481037418298 ylo yhi
-2.368381366136653 2.368381366136653 zlo zhi
3.7512763981566075e-15 -0.0003379169562030113 -1.9650231006895348e-14 xy xz yz

Atom Type Labels

1 IHOP
2 OMG2
3 MGO2

Bond Type Labels

1 OMG2-IHOP

Angle Type Labels


Dihedral Type Labels


Improper Type Labels


Masses

1 1.008
2 15.9994
3 24.305

Pair Coeffs # lj/cut/coul/long

1 0 0.00017818
2 0.25 3.12705
3 0.3 1.72834

Bond Coeffs # harmonic

1 530 0.95

Atoms # full

1 1 3 1.35 2.700171991191259 1.5589481037417756 -2.36838136613664 -1 -1 0
2 1 2 -1.02 -0.9003954380959458 1.5589481037416304 1.2580998382805348 0 -1 -1
3 1 1 0.345 -0.9003591228658177 1.5589481037418165 0.2840679068413179 0 -1 -1
4 1 2 -1.02 -1.8001150995106898 -2.6423307986078726e-14 -1.2580997170507002 0 0 0
5 1 1 0.345 -1.8001493894819478 -7.016609515630989e-14 -0.2840677621988448 0 0 0
6 1 2 -1.02 0.9000575013292753 1.558948103741817 -1.258099838280443 0 -1 0
7 1 1 0.345 0.9000211860996399 1.5589481037418205 -0.28406790684123084 0 -1 0
8 1 3 1.35 -0.0003379268613006303 -6.683542608243442e-14 2.3683813661366475 0 0 -1
9 1 2 -1.02 1.7997771627440953 -3.197442310920451e-14 1.258099717050646 0 0 -1
10 1 1 0.345 1.799811452714792 -2.2870594307278225e-14 0.2840677621987955 0 0 -1

Velocities

1 2.725182829045495e-14 2.0639041438869775e-15 -5.103148742923754e-16
2 2.2474417334911973e-07 8.19736688806148e-15 -2.1637175204926938e-05
3 3.771129319908449e-07 -2.033151014873402e-15 -4.2072652516279514e-05
4 -1.3938223453060875e-07 -2.30575595092857e-15 2.163778613059366e-05
5 -4.386972737847149e-07 4.415617891780951e-16 4.207272688308863e-05
6 -2.2474417558663968e-07 -8.192539735820061e-16 2.163717520850728e-05
7 -3.7711293670113356e-07 -5.817420441035417e-16 4.207265251793382e-05
8 -1.3299595903865214e-14 -4.116751939893302e-15 1.5999395930273184e-15
9 1.3938222080997576e-07 -1.939664179852155e-15 -2.163778613556871e-05
10 4.3869728204790534e-07 -7.463072507801785e-17 -4.2072726884172895e-05

Bonds

1 1 2 3
2 1 4 5
3 1 6 7
4 1 9 10