LAMMPS data file via write_data, version 2 Aug 2023, timestep = 702, units = real

10 atoms
3 atom types
4 bonds
1 bond types

-2.674001485071864 2.674001485071864 xlo xhi
-1.5438349521324197 1.5438349521324197 ylo yhi
-2.298116824370535 2.298116824370535 zlo zhi
-6.773183795552502e-16 -2.014721304551608e-05 -2.1812698207230498e-14 xy xz yz

Atom Type Labels

1 IHOP
2 ONI2
3 NIO2

Bond Type Labels

1 ONI2-IHOP

Angle Type Labels


Dihedral Type Labels


Improper Type Labels


Masses

1 1.008
2 15.9994
3 58.71

Pair Coeffs # lj/cut/coul/long

1 0 0.00017818
2 0.25 3.06469
3 0.3 1.72834

Bond Coeffs # harmonic

1 515 1.1

Atoms # full

1 1 3 1.36 2.673897825141239 1.5438349521323793 2.2981167030460896 -1 -1 -1
2 1 2 -0.96 -1.7827500321554393 -2.5757174171303632e-14 -1.222734589278419 0 0 0
3 1 1 0.28 -1.7827563211347128 -3.26405569239796e-14 -0.10111521674900814 0 0 0
4 1 2 -0.96 -0.8914367330380837 1.543834952132366 1.222732813537386 0 -1 -1
5 1 1 0.28 -0.8914405019803471 1.5438349521323687 0.1011134329616663 0 -1 -1
6 1 2 -0.96 0.891250045864652 1.5438349521323709 -1.2227326553163855 0 -1 0
7 1 1 0.28 0.89123540761463 1.5438349521324086 -0.10111327277495796 0 -1 0
8 1 3 1.36 -8.353932870530656e-05 -3.042011087472929e-14 -2.298116699542132 0 0 0
9 1 2 -0.96 1.7825629688787625 -5.440092820663267e-14 1.2227344304476482 -1 0 -1
10 1 1 0.28 1.7825479735729086 -7.105427357601002e-14 0.1011150562483718 -1 0 -1

Velocities

1 -2.3324951290915762e-11 -7.673120262405248e-18 4.946589512753989e-12
2 -5.858709334723541e-11 5.161234931897308e-18 -5.146917945155487e-07
3 -1.6479698281998923e-08 -4.297966028209435e-18 -7.89298722873698e-06
4 3.99516854883487e-10 9.421345064307852e-18 5.149204057715741e-07
5 -7.3132829674939624e-09 -3.228712869767434e-17 7.896958281710095e-06
6 -6.295984220228081e-10 3.577098907024281e-17 -5.149012155205035e-07
7 1.2201651408387562e-08 -8.790416999327124e-17 -7.897093872093835e-06
8 -5.3032512671692344e-11 -7.664416991330135e-18 -4.028452800989927e-12
9 -1.9038755552726908e-10 1.1621715446622896e-17 5.146633977172965e-07
10 2.364247937166602e-08 3.2316110626412053e-17 7.89321547330347e-06

Bonds

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