forked from lijiext/lammps
11 lines
748 B
Plaintext
11 lines
748 B
Plaintext
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# Refined parameters for Kolmogorov-Crespi Potential with taper function
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#
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# Cite as W. Ouyang, D. Mandelli, M. Urbakh and O. Hod, Nano Letters 18, 6009-6016 (2018).
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#
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# z0 C0 C2 C4 C delta lambda A S rcut
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C C 3.416084 20.021583 10.9055107 4.2756354 1.0010836E-2 0.8447122 2.9360584 14.3132588 1.0 2.0
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C H 2.849054 72.557245 1.0164169E-2 65.923312 8.7962504E-5 0.3349237 3.0402632 14.7533201 1.0 1.5
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H H 2.187478 3.915802E-5 5.0896431E-5 3.6657827 1.5373722446 0.9633581 0.4249989 1.570737E-4 1.0 1.2
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H C 2.849054 72.557245 1.0164169E-2 65.923312 8.7962504E-5 0.3349237 3.0402632 14.7533201 1.0 2.2
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