LAMMPS data file via write_data, version 2 Aug 2023, timestep = 37, units = real

4 atoms
1 atom types

-3.0164019875475674 3.0164019875475674 xlo xhi
-3.0164019875475674 3.0164019875475674 ylo yhi
-3.0164019875475674 3.0164019875475674 zlo zhi
-5.600123072631037e-17 -1.4646507224344201e-16 -1.5499987238167138e-16 xy xz yz

Atom Type Labels

1 ISR

Bond Type Labels


Angle Type Labels


Dihedral Type Labels


Improper Type Labels


Masses

1 87.62

Pair Coeffs # lj/cut

1 3.4 3.90125

Atoms # full

1 1 1 0 3.016401977631724 3.016401977631724 -3.0164019875475674 -1 -1 0
2 2 1 0 3.016401977631724 -9.915849474850802e-09 -8.881784197001252e-16 -1 0 0
3 3 1 0 -9.915849474850802e-09 3.016401977631724 -8.881784197001252e-16 0 -1 0
4 4 1 0 -9.915849474850802e-09 -9.915849474850802e-09 -3.0164019875475674 0 0 0

Velocities

1 -6.223959438677641e-19 -6.235556467018449e-19 -9.025801485816597e-20
2 -6.226610188012683e-19 6.22263406401012e-19 8.754099678974834e-20
3 6.242514684022933e-19 -6.226610188012683e-19 8.720965312286814e-20
4 6.227935562680204e-19 6.229260937347724e-19 -8.42938288543224e-20