# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Shim-J-H-Ko-W-S-Kim-K-H-et-al--V-Ni-H # implementation = 2013--Shim-J-H--V-Ni-H--LAMMPS--ipr1 # composition = HNi2V # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 2.348869952e+02 2.348869952e+02 1.00 2.191430776e+02 2.191430776e+02 1.02 2.043570808e+02 2.043570808e+02 1.04 1.904747679e+02 1.904747679e+02 1.06 1.774447461e+02 1.774447461e+02 1.08 1.652183323e+02 1.652183323e+02 1.10 1.537494248e+02 1.537494248e+02 1.12 1.429943797e+02 1.429943797e+02 1.14 1.329118919e+02 1.329118919e+02 1.16 1.234628811e+02 1.234628811e+02 1.18 1.146103831e+02 1.146103831e+02 1.20 1.063194446e+02 1.063194446e+02 1.22 9.855702314e+01 9.855702314e+01 1.24 9.129189148e+01 9.129189148e+01 1.26 8.449454578e+01 8.449454578e+01 1.28 7.813711798e+01 7.813711798e+01 1.30 7.219329222e+01 7.219329222e+01 1.32 6.663822491e+01 6.663822491e+01 1.34 6.144846847e+01 6.144846847e+01 1.36 5.660189875e+01 5.660189875e+01 1.38 5.207764557e+01 5.207764557e+01 1.40 4.785602678e+01 4.785602678e+01 1.42 4.391848533e+01 4.391848533e+01 1.44 4.024752932e+01 4.024752932e+01 1.46 3.682667506e+01 3.682667506e+01 1.48 3.364039282e+01 3.364039282e+01 1.50 3.067405523e+01 3.067405523e+01 1.52 2.791388829e+01 2.791388829e+01 1.54 2.534692474e+01 2.534692474e+01 1.56 2.296095986e+01 2.296095986e+01 1.58 2.074450942e+01 2.074450942e+01 1.60 1.868676977e+01 1.868676977e+01 1.62 1.677758003e+01 1.677758003e+01 1.64 1.500738617e+01 1.500738617e+01 1.66 1.336720694e+01 1.336720694e+01 1.68 1.184860165e+01 1.184860165e+01 1.70 1.044363951e+01 1.044363951e+01 1.72 9.144870702e+00 9.144870702e+00 1.74 7.945298945e+00 7.945298945e+00 1.76 6.838355479e+00 6.838355479e+00 1.78 5.817874478e+00 5.817874478e+00 1.80 4.878069805e+00 4.878069805e+00 1.82 4.013512973e+00 4.013512973e+00 1.84 3.219112335e+00 3.219112335e+00 1.86 2.490093418e+00 2.490093418e+00 1.88 1.821980296e+00 1.821980296e+00 1.90 1.210578033e+00 1.210578033e+00 1.92 6.519560731e-01 6.519560731e-01 1.94 1.424325526e-01 1.424325526e-01 1.96 -3.214404903e-01 -3.214404903e-01 1.98 -7.428911013e-01 -7.428911013e-01 2.00 -1.124940601e+00 -1.124940601e+00 2.02 -1.470416011e+00 -1.470416011e+00 2.04 -1.781961806e+00 -1.781961806e+00 2.06 -2.062050971e+00 -2.062050971e+00 2.08 -2.312995432e+00 -2.312995432e+00 2.10 -2.536955898e+00 -2.536955898e+00 2.12 -2.735951117e+00 -2.735951117e+00 2.14 -2.911866607e+00 -2.911866607e+00 2.16 -3.066462883e+00 -3.066462883e+00 2.18 -3.201383189e+00 -3.201383189e+00 2.20 -3.318160794e+00 -3.318160794e+00 2.22 -3.418225849e+00 -3.418225849e+00 2.24 -3.502911835e+00 -3.502911835e+00 2.26 -3.573461645e+00 -3.573461645e+00 2.28 -3.631033290e+00 -3.631033290e+00 2.30 -3.676705268e+00 -3.676705268e+00 2.32 -3.711481618e+00 -3.711481618e+00 2.34 -3.736296659e+00 -3.736296659e+00 2.36 -3.752019452e+00 -3.752019452e+00 2.38 -3.759457994e+00 -3.759457994e+00 2.40 -3.759363143e+00 -3.759363143e+00 2.42 -3.752432319e+00 -3.752432319e+00 2.44 -3.739312974e+00 -3.739312974e+00 2.46 -3.720605843e+00 -3.720605843e+00 2.48 -3.696868000e+00 -3.696868000e+00 2.50 -3.668615729e+00 -3.668615729e+00 2.52 -3.636327201e+00 -3.636327201e+00 2.54 -3.600445007e+00 -3.600445007e+00 2.56 -3.561378509e+00 -3.561378509e+00 2.58 -3.519506059e+00 -3.519506059e+00 2.60 -3.475177075e+00 -3.475177075e+00 2.62 -3.428713978e+00 -3.428713978e+00 2.64 -3.380414012e+00 -3.380414012e+00 2.66 -3.330550951e+00 -3.330550951e+00 2.68 -3.279376683e+00 -3.279376683e+00 2.70 -3.227122708e+00 -3.227122708e+00 2.72 -3.174001525e+00 -3.174001525e+00 2.74 -3.120207937e+00 -3.120207937e+00 2.76 -3.065920265e+00 -3.065920265e+00 2.78 -3.011301486e+00 -3.011301486e+00 2.80 -2.956500289e+00 -2.956500289e+00 2.82 -2.901652067e+00 -2.901652067e+00 2.84 -2.846879841e+00 -2.846879841e+00 2.86 -2.792295113e+00 -2.792295113e+00 2.88 -2.737998670e+00 -2.737998670e+00 2.90 -2.684081330e+00 -2.684081330e+00 2.92 -2.630624630e+00 -2.630624630e+00 2.94 -2.577701474e+00 -2.577701474e+00 2.96 -2.525376729e+00 -2.525376729e+00 2.98 -2.473707778e+00 -2.473707778e+00 3.00 -2.422745035e+00 -2.422745035e+00 3.02 -2.372532424e+00 -2.372532424e+00 3.04 -2.323107815e+00 -2.323107815e+00 3.06 -2.274503434e+00 -2.274503434e+00 3.08 -2.226746243e+00 -2.226746243e+00 3.10 -2.179858282e+00 -2.179858282e+00 3.12 -2.133856997e+00 -2.133856997e+00 3.14 -2.088755534e+00 -2.088755534e+00 3.16 -2.044563017e+00 -2.044563017e+00 3.18 -2.001284804e+00 -2.001284804e+00 3.20 -1.958922724e+00 -1.958922724e+00 3.22 -1.917475301e+00 -1.917475301e+00 3.24 -1.876937965e+00 -1.876937965e+00 3.26 -1.837303251e+00 -1.837303251e+00 3.28 -1.798560994e+00 -1.798560994e+00 3.30 -1.760698513e+00 -1.760698513e+00 3.32 -1.723700798e+00 -1.723700798e+00 3.34 -1.687550695e+00 -1.687550695e+00 3.36 -1.652229095e+00 -1.652229095e+00 3.38 -1.617715128e+00 -1.617715128e+00 3.40 -1.583986365e+00 -1.583986365e+00 3.42 -1.551019032e+00 -1.551019032e+00 3.44 -1.518788234e+00 -1.518788234e+00 3.46 -1.487268187e+00 -1.487268187e+00 3.48 -1.456432473e+00 -1.456432473e+00 3.50 -1.426254297e+00 -1.426254297e+00 3.52 -1.396706754e+00 -1.396706754e+00 3.54 -1.367763108e+00 -1.367763108e+00 3.56 -1.339397065e+00 -1.339397065e+00 3.58 -1.311583050e+00 -1.311583050e+00 3.60 -1.284296467e+00 -1.284296467e+00 3.62 -1.257513947e+00 -1.257513947e+00 3.64 -1.231213574e+00 -1.231213574e+00 3.66 -1.205375073e+00 -1.205375073e+00 3.68 -1.179979968e+00 -1.179979968e+00 3.70 -1.155011697e+00 -1.155011697e+00 3.72 -1.130455681e+00 -1.130455681e+00 3.74 -1.106299341e+00 -1.106299341e+00 3.76 -1.082532073e+00 -1.082532073e+00 3.78 -1.059145173e+00 -1.059145173e+00 3.80 -1.036131723e+00 -1.036131723e+00 3.82 -1.013486433e+00 -1.013486433e+00 3.84 -9.912054624e-01 -9.912054624e-01 3.86 -9.692862122e-01 -9.692862122e-01 3.88 -9.477271065e-01 -9.477271065e-01 3.90 -9.265273678e-01 -9.265273678e-01 3.92 -9.056867965e-01 -9.056867965e-01 3.94 -8.852055591e-01 -8.852055591e-01 3.96 -8.650839946e-01 -8.650839946e-01 3.98 -8.453224412e-01 -8.453224412e-01 4.00 -8.259210889e-01 -8.259210889e-01 4.02 -8.068798583e-01 -8.068798583e-01 4.04 -7.881983080e-01 -7.881983080e-01 4.06 -7.698755683e-01 -7.698755683e-01 4.08 -7.519103007e-01 -7.519103007e-01 4.10 -7.343006795e-01 -7.343006795e-01 4.12 -7.170443937e-01 -7.170443937e-01 4.14 -7.001386649e-01 -7.001386649e-01 4.16 -6.835802768e-01 -6.835802768e-01 4.18 -6.673656150e-01 -6.673656150e-01 4.20 -6.514907110e-01 -6.514907110e-01 4.22 -6.359512904e-01 -6.359512904e-01 4.24 -6.207428200e-01 -6.207428200e-01 4.26 -6.056747986e-01 -6.056747986e-01 4.28 -5.866875246e-01 -5.866875246e-01 4.30 -5.475750098e-01 -5.475750098e-01 4.32 -4.567120991e-01 -4.567120991e-01 4.34 -4.106936993e-01 -4.106936993e-01 4.36 -3.984696239e-01 -3.984696239e-01 4.38 -3.865710825e-01 -3.865710825e-01 4.40 -3.749905917e-01 -3.749905917e-01 4.42 -3.637207876e-01 -3.637207876e-01 4.44 -3.527544273e-01 -3.527544273e-01 4.46 -3.420843899e-01 -3.420843899e-01 4.48 -3.317036772e-01 -3.317036772e-01 4.50 -3.216054140e-01 -3.216054140e-01 4.52 -3.117828486e-01 -3.117828486e-01 4.54 -3.022293527e-01 -3.022293527e-01 4.56 -2.929384211e-01 -2.929384211e-01 4.58 -2.839036719e-01 -2.839036719e-01 4.60 -2.751188453e-01 -2.751188453e-01 4.62 -2.665778037e-01 -2.665778037e-01 4.64 -2.582745304e-01 -2.582745304e-01 4.66 -2.502031292e-01 -2.502031292e-01 4.68 -2.423578232e-01 -2.423578232e-01 4.70 -2.347329538e-01 -2.347329538e-01 4.72 -2.273229793e-01 -2.273229793e-01 4.74 -2.201224744e-01 -2.201224744e-01 4.76 -2.131261280e-01 -2.131261280e-01 4.78 -2.063287425e-01 -2.063287425e-01 4.80 -1.997252322e-01 -1.997252322e-01 4.82 -1.933106217e-01 -1.933106217e-01 4.84 -1.870800448e-01 -1.870800448e-01 4.86 -1.810287425e-01 -1.810287425e-01 4.88 -1.751520616e-01 -1.751520616e-01 4.90 -1.694454533e-01 -1.694454533e-01 4.92 -1.638052206e-01 -1.638052206e-01 4.94 -1.569157405e-01 -1.569157405e-01 4.96 -1.428644309e-01 -1.428644309e-01 4.98 -9.728445615e-02 -9.728445615e-02 5.00 -1.660515630e-22 -1.661023483e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 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