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lammps/examples/QM/LATTE/dump.8Sep22.series.mpi.1.2uo2
2022-09-08 11:24:28 -06:00

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ITEM: TIMESTEP
0
ITEM: NUMBER OF ATOMS
6
ITEM: BOX BOUNDS xy xz yz pp pp pp
0.0000000000000000e+00 1.0800000000000001e+01 3.3065463576978537e-16
0.0000000000000000e+00 5.4000000000000004e+00 3.3065463576978537e-16
0.0000000000000000e+00 5.4000000000000004e+00 3.3065463576978537e-16
ITEM: ATOMS id type x y z fx fy fz
1 1 2.7 2.7 0 -2.27066e-14 -1.33391e-14 2.31141e-14
2 2 1.35 4.05 1.35 2.35473 2.21578e-14 7.40069e-15
3 2 4.05 4.05 1.35 -2.35473 2.97071e-15 -2.01341e-14
4 1 2.7 1.65327e-16 2.7 -2.90278e-14 6.77422e-15 2.86766e-15
5 2 1.35 1.35 4.05 2.35473 5.79901e-15 -1.19594e-14
6 2 4.05 1.35 4.05 -2.35473 -1.38761e-14 1.09382e-14