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LAMMPS data file via write_data, version 23 Jun 2022, timestep = 10000
1000 atoms
5 atom types
1500 bonds
3 bond types
3000 angles
3 angle types
6000 dihedrals
1 dihedral types
1000 impropers
1 improper types
-10.604020997495237 10.604020997495237 xlo xhi
-12.358509382989562 12.358509382989562 ylo yhi
-28.8 28.8 zlo zhi
Masses
1 15.9994
2 1.008
3 12.0107
4 15.9994
5 12.011
Pair Coeffs # lj/cut
1 0.18481 3.165
2 0 0
3 0.053649 2.8
4 0.156973 3.05
5 0.0663 3.5812
Bond Coeffs # harmonic
1 0 0.9572
2 2566.7 1.16
3 610 1.42
Angle Coeffs # harmonic
1 0 104.52
2 295.4 180
3 80 120
Dihedral Coeffs # opls
1 0 7.25 0 0
Improper Coeffs # harmonic
1 5 180
Atoms # full
547 3 5 0 -5.002570419458919 -7.625783616381329 28.683835701479072 1 1 -1
704 4 5 0 -8.75833657688452 -11.27216357108249 -25.33450538601675 1 1 0
708 4 5 0 -8.737618712041193 -8.786983458234815 -25.3817908776557 1 1 0
743 4 5 0 -5.957687453167884 -11.256651479084073 -25.127999265078948 1 1 0
744 4 5 0 -4.5292566408148245 -11.24941405238703 -25.20759895354843 1 1 0
745 4 5 0 -8.055884017946724 -10.031824277914016 -25.218895847508595 1 1 0
746 4 5 0 -6.637585407903879 -10.021333303402539 -25.34870911317384 1 1 0
747 4 5 0 -5.950693466115995 -8.791124597924096 -25.07667259971259 1 1 0
748 4 5 0 -4.520639452753924 -8.78183760039633 -25.229674460346423 1 1 0
749 4 5 0 -8.035900492608043 -7.572429984390411 -25.11659077225847 1 1 0
750 4 5 0 -6.615211662492259 -7.554195200496993 -25.293753655693273 1 1 0
751 4 5 0 -5.930932295809826 -6.345058244989167 -24.971640018714997 1 1 0
703 4 5 0 -10.196415612263154 -11.252272618230688 -25.156918491679328 1 1 0
707 4 5 0 -10.168029251650253 -8.768674662538658 -25.20993872045474 1 1 0
711 4 5 0 -10.164220092866543 -6.325721191055082 -25.088340538243912 1 1 0
712 4 5 0 -8.731205038237784 -6.321384760424473 -25.261584168905813 1 1 0
752 4 5 0 -4.50021969913612 -6.328149450743355 -25.087794001660594 1 1 0
508 3 5 0 -7.802839764358234 -7.636899539722482 -28.701208680666863 1 1 0
541 3 5 0 -7.070059836452622 -11.352666847948026 -28.52119792382709 1 1 0
503 3 5 0 -9.225337234506382 -10.064719673535855 -28.711867349380984 1 1 0
550 3 5 0 -5.704925341310675 -6.395821010092067 28.74022991329124 1 1 -1
510 3 5 0 -9.960034118176528 -6.442379495332169 -28.77421688473052 1 1 0
706 4 5 0 10.328518914370001 -10.00276186012453 -25.405862450481578 0 1 0
710 4 5 0 10.330782293897059 -7.535038951665607 -25.315866073547753 0 1 0
549 3 5 0 -7.0989556174028765 -6.377500453547545 28.673057945946393 1 1 -1
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