forked from lijiext/lammps
71 lines
2.8 KiB
Plaintext
71 lines
2.8 KiB
Plaintext
# general elements, Schwerdtfeger Table 2014
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# units: kJ/mol, A, deg
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# kforce is in the form k/2 r_D^2
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# type m_D/u q_D/e k_D alpha/A3 thole
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H 0.8 -1.0 4184.0 0.6679 2.6
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He 0.8 -1.0 4184.0 0.2051 2.6
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Li 0.8 -1.0 4184.0 24.3023 2.6
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Be 0.8 -1.0 4184.0 5.5880 2.6
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B 0.8 -1.0 4184.0 3.0422 2.6
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C 0.8 -1.0 4184.0 1.6686 2.6
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N 0.8 -1.0 4184.0 1.1262 2.6
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O 0.8 -1.0 4184.0 0.7765 2.6
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F 0.8 -1.0 4184.0 0.5483 2.6
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Ne 0.8 -1.0 4184.0 0.3957 2.6
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Na 0.8 -1.0 4184.0 24.1097 2.6
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Mg 0.8 -1.0 4184.0 10.4856 2.6
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Al 0.8 -1.0 4184.0 6.8165 2.6
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Si 0.8 -1.0 4184.0 5.5288 2.6
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P 0.8 -1.0 4184.0 3.6942 2.6
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S 0.8 -1.0 4184.0 2.8703 2.6
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Cl 0.8 -1.0 4184.0 2.1591 2.6
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Ar 0.8 -1.0 4184.0 1.6404 2.6
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K 0.8 -1.0 4184.0 43.0625 2.6
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Ca 0.8 -1.0 4184.0 25.0432 2.6
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Sc 0.8 -1.0 4184.0 21.0837 2.6
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Ti 0.8 -1.0 4184.0 16.9434 2.6
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V 0.8 -1.0 4184.0 14.4243 2.6
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Cr 0.8 -1.0 4184.0 11.6177 2.6
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Mn 0.8 -1.0 4184.0 9.8987 2.6
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Fe 0.8 -1.0 4184.0 9.2838 2.6
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Co 0.8 -1.0 4184.0 8.5517 2.6
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Ni 0.8 -1.0 4184.0 7.5722 2.6
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Cu 0.8 -1.0 4184.0 6.0311 2.6
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Zn 0.8 -1.0 4184.0 5.7496 2.6
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Ga 0.8 -1.0 4184.0 7.6167 2.6
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Ge 0.8 -1.0 4184.0 5.8429 2.6
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As 0.8 -1.0 4184.0 4.4159 2.6
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Se 0.8 -1.0 4184.0 3.8884 2.6
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Br 0.8 -1.0 4184.0 3.1163 2.6
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Kr 0.8 -1.0 4184.0 2.5303 2.6
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Rb 0.8 -1.0 4184.0 47.2413 2.6
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Sr 0.8 -1.0 4184.0 27.5624 2.6
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Y 0.8 -1.0 4184.0 22.6723 2.6
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Zr 0.8 -1.0 4184.0 17.9304 2.6
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Nb 0.8 -1.0 4184.0 15.7076 2.6
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Mo 0.8 -1.0 4184.0 10.7434 2.6
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Tc 0.8 -1.0 4184.0 11.9141 2.6
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Ru 0.8 -1.0 4184.0 9.6320 2.6
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Rh 0.8 -1.0 4184.0 8.5947 2.6
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Pd 0.8 -1.0 4184.0 4.7419 2.6
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Ag 0.8 -1.0 4184.0 5.4384 2.6
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Cd 0.8 -1.0 4184.0 7.3574 2.6
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In 0.8 -1.0 4184.0 10.1803 2.6
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Sn 0.8 -1.0 4184.0 6.2830 2.6
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Sb 0.8 -1.0 4184.0 6.3053 2.6
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Te 0.8 -1.0 4184.0 5.4828 2.6
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I 0.8 -1.0 4184.0 5.1272 2.6
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Xe 0.8 -1.0 4184.0 4.1218 2.6
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Cs 0.8 -1.0 4184.0 59.4221 2.6
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Ba 0.8 -1.0 4184.0 39.7135 2.6
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La 0.8 -1.0 4184.0 31.1188 2.6
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Ce 0.8 -1.0 4184.0 29.6369 2.6
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Yb 0.8 -1.0 4184.0 21.1311 2.6
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Pt 0.8 -1.0 4184.0 6.5201 2.6
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Au 0.8 -1.0 4184.0 4.1344 2.6
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Hg 0.8 -1.0 4184.0 5.0249 2.6
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Pb 0.8 -1.0 4184.0 6.9795 2.6
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Bi 0.8 -1.0 4184.0 7.8316 2.6
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U 0.8 -1.0 4184.0 20.3013 2.6
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