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lammps/tools/lmp2arc/test/water8.car
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water8.car
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!BIOSYM archive 3
PBC=ON
Water box from Eric Simon
!DATE Fri Oct 24 16:37:49 1997
PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
O1 -1.872180000 7.165790000 0.418170000 WTR 1 o* O -0.820
H11 -1.689520000 7.089730000 1.354690000 WTR 1 h* H 0.410
H12 -1.895920000 8.108520000 0.254080000 WTR 1 h* H 0.410
end
O1 9.230430000 4.657060000 4.156260000 WTR 2 o* O -0.820
H11 9.465440000 4.921460000 3.266830000 WTR 2 h* H 0.410
H12 10.059570000 4.393230000 4.555190000 WTR 2 h* H 0.410
end
O1 1.214310000 4.380410000 0.134700000 WTR 3 o* O -0.820
H11 1.244720000 5.289710000 0.432150000 WTR 3 h* H 0.410
H12 1.722010000 3.897490000 0.786810000 WTR 3 h* H 0.410
end
O1 9.017600000 8.540120000 2.278390000 WTR 4 o* O -0.820
H11 8.743110000 9.029940000 3.053600000 WTR 4 h* H 0.410
H12 8.492560000 7.740110000 2.301640000 WTR 4 h* H 0.410
end
O1 7.534550000 6.982930000 -0.678410000 WTR 5 o* O -0.820
H11 7.696430000 6.754540000 -1.593760000 WTR 5 h* H 0.410
H12 6.605560000 7.211690000 -0.648830000 WTR 5 h* H 0.410
end
O1 11.381660000 7.514670000 4.106050000 WTR 6 o* O -0.820
H11 10.830010000 7.598050000 3.328260000 WTR 6 h* H 0.410
H12 10.771400000 7.298260000 4.811020000 WTR 6 h* H 0.410
end
O1 -1.981430000 8.779190000 6.557090000 WTR 7 o* O -0.820
H11 -1.575590000 8.982500000 7.399820000 WTR 7 h* H 0.410
H12 -2.552830000 8.033270000 6.739640000 WTR 7 h* H 0.410
end
O1 5.393330000 10.403880000 5.782890000 WTR 8 o* O -0.820
H11 5.694370000 9.503500000 5.905020000 WTR 8 h* H 0.410
H12 6.018620000 10.784410000 5.166110000 WTR 8 h* H 0.410
end
end
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