# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = NiPd2Ti # 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 2024-04-11 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.572608118e+02 2.572608118e+02 1.30 2.381862069e+02 2.381862069e+02 1.32 2.205213354e+02 2.205213354e+02 1.34 2.041571142e+02 2.041571142e+02 1.36 1.889926828e+02 1.889926828e+02 1.38 1.749334814e+02 1.749334814e+02 1.40 1.618913548e+02 1.618913548e+02 1.42 1.497852179e+02 1.497852179e+02 1.44 1.385414575e+02 1.385414575e+02 1.46 1.280939145e+02 1.280939145e+02 1.48 1.183833030e+02 1.183833030e+02 1.50 1.093560870e+02 1.093560870e+02 1.52 1.009630808e+02 1.009630808e+02 1.54 9.315818449e+01 9.315818449e+01 1.56 8.589758683e+01 8.589758683e+01 1.58 7.913951456e+01 7.913951456e+01 1.60 7.284450015e+01 7.284450015e+01 1.62 6.697604080e+01 6.697604080e+01 1.64 6.150126212e+01 6.150126212e+01 1.66 5.639112260e+01 5.639112260e+01 1.68 5.162004257e+01 5.162004257e+01 1.70 4.716525734e+01 4.716525734e+01 1.72 4.300898752e+01 4.300898752e+01 1.74 3.915853353e+01 3.915853353e+01 1.76 3.559851189e+01 3.559851189e+01 1.78 3.230754659e+01 3.230754659e+01 1.80 2.926588655e+01 2.926588655e+01 1.82 2.645543770e+01 2.645543770e+01 1.84 2.385958733e+01 2.385958733e+01 1.86 2.146292555e+01 2.146292555e+01 1.88 1.925098586e+01 1.925098586e+01 1.90 1.721009802e+01 1.721009802e+01 1.92 1.532738834e+01 1.532738834e+01 1.94 1.359087411e+01 1.359087411e+01 1.96 1.198954770e+01 1.198954770e+01 1.98 1.051337344e+01 1.051337344e+01 2.00 9.153196265e+00 9.153196265e+00 2.02 7.900607909e+00 7.900607909e+00 2.04 6.747819863e+00 6.747819863e+00 2.06 5.687574021e+00 5.687574021e+00 2.08 4.713099662e+00 4.713099662e+00 2.10 3.818104409e+00 3.818104409e+00 2.12 2.996774023e+00 2.996774023e+00 2.14 2.243760617e+00 2.243760617e+00 2.16 1.554152274e+00 1.554152274e+00 2.18 9.234287391e-01 9.234287391e-01 2.20 3.474123258e-01 3.474123258e-01 2.22 -1.777775843e-01 -1.777775843e-01 2.24 -6.557592004e-01 -6.557592004e-01 2.26 -1.089909422e+00 -1.089909422e+00 2.28 -1.483375730e+00 -1.483375730e+00 2.30 -1.839088284e+00 -1.839088284e+00 2.32 -2.159781278e+00 -2.159781278e+00 2.34 -2.448021634e+00 -2.448021634e+00 2.36 -2.706236557e+00 -2.706236557e+00 2.38 -2.936731187e+00 -2.936731187e+00 2.40 -3.141695561e+00 -3.141695561e+00 2.42 -3.323206391e+00 -3.323206391e+00 2.44 -3.483229207e+00 -3.483229207e+00 2.46 -3.623622253e+00 -3.623622253e+00 2.48 -3.746138027e+00 -3.746138027e+00 2.50 -3.852417140e+00 -3.852417140e+00 2.52 -3.943999435e+00 -3.943999435e+00 2.54 -4.022281779e+00 -4.022281779e+00 2.56 -4.088398834e+00 -4.088398834e+00 2.58 -4.143334069e+00 -4.143334069e+00 2.60 -4.187937958e+00 -4.187937958e+00 2.62 -4.222951059e+00 -4.222951059e+00 2.64 -4.249031676e+00 -4.249031676e+00 2.66 -4.266782184e+00 -4.266782184e+00 2.68 -4.276841561e+00 -4.276841561e+00 2.70 -4.280227732e+00 -4.280227732e+00 2.72 -4.277108823e+00 -4.277108823e+00 2.74 -4.267498945e+00 -4.267498945e+00 2.76 -4.251500974e+00 -4.251500974e+00 2.78 -4.229293537e+00 -4.229293537e+00 2.80 -4.201111309e+00 -4.201111309e+00 2.82 -4.167230550e+00 -4.167230550e+00 2.84 -4.127962405e+00 -4.127962405e+00 2.86 -4.083695316e+00 -4.083695316e+00 2.88 -4.034905800e+00 -4.034905800e+00 2.90 -3.982085520e+00 -3.982085520e+00 2.92 -3.925733389e+00 -3.925733389e+00 2.94 -3.866348097e+00 -3.866348097e+00 2.96 -3.804416597e+00 -3.804416597e+00 2.98 -3.740401418e+00 -3.740401418e+00 3.00 -3.674729776e+00 -3.674729776e+00 3.02 -3.607786153e+00 -3.607786153e+00 3.04 -3.539908347e+00 -3.539908347e+00 3.06 -3.471386287e+00 -3.471386287e+00 3.08 -3.402462320e+00 -3.402462320e+00 3.10 -3.333333715e+00 -3.333333715e+00 3.12 -3.264157020e+00 -3.264157020e+00 3.14 -3.195054731e+00 -3.195054731e+00 3.16 -3.126122775e+00 -3.126122775e+00 3.18 -3.057438538e+00 -3.057438538e+00 3.20 -2.989067556e+00 -2.989067556e+00 3.22 -2.921068532e+00 -2.921068532e+00 3.24 -2.853496545e+00 -2.853496545e+00 3.26 -2.786404735e+00 -2.786404735e+00 3.28 -2.719844938e+00 -2.719844938e+00 3.30 -2.653867679e+00 -2.653867679e+00 3.32 -2.588521865e+00 -2.588521865e+00 3.34 -2.523854374e+00 -2.523854374e+00 3.36 -2.459909692e+00 -2.459909692e+00 3.38 -2.396729682e+00 -2.396729682e+00 3.40 -2.334353543e+00 -2.334353543e+00 3.42 -2.272818113e+00 -2.272818113e+00 3.44 -2.212158302e+00 -2.212158302e+00 3.46 -2.152407916e+00 -2.152407916e+00 3.48 -2.093600467e+00 -2.093600467e+00 3.50 -2.035769821e+00 -2.035769821e+00 3.52 -1.978950336e+00 -1.978950336e+00 3.54 -1.923176190e+00 -1.923176190e+00 3.56 -1.868479790e+00 -1.868479790e+00 3.58 -1.814889378e+00 -1.814889378e+00 3.60 -1.762426278e+00 -1.762426278e+00 3.62 -1.711102387e+00 -1.711102387e+00 3.64 -1.660918544e+00 -1.660918544e+00 3.66 -1.611864141e+00 -1.611864141e+00 3.68 -1.563918085e+00 -1.563918085e+00 3.70 -1.517050876e+00 -1.517050876e+00 3.72 -1.471227425e+00 -1.471227425e+00 3.74 -1.426410169e+00 -1.426410169e+00 3.76 -1.382562108e+00 -1.382562108e+00 3.78 -1.339649479e+00 -1.339649479e+00 3.80 -1.297643859e+00 -1.297643859e+00 3.82 -1.256523527e+00 -1.256523527e+00 3.84 -1.216274010e+00 -1.216274010e+00 3.86 -1.176887770e+00 -1.176887770e+00 3.88 -1.138363109e+00 -1.138363109e+00 3.90 -1.100702477e+00 -1.100702477e+00 3.92 -1.063910461e+00 -1.063910461e+00 3.94 -1.027991930e+00 -1.027991930e+00 3.96 -9.929503592e-01 -9.929503592e-01 3.98 -9.587870123e-01 -9.587870123e-01 4.00 -9.255007371e-01 -9.255007371e-01 4.02 -8.930884185e-01 -8.930884185e-01 4.04 -8.615458459e-01 -8.615458459e-01 4.06 -8.308686835e-01 -8.308686835e-01 4.08 -8.010532360e-01 -8.010532360e-01 4.10 -7.720967032e-01 -7.720967032e-01 4.12 -7.439971604e-01 -7.439971604e-01 4.14 -7.167523343e-01 -7.167523343e-01 4.16 -6.903586084e-01 -6.903586084e-01 4.18 -6.648094872e-01 -6.648094872e-01 4.20 -6.400942147e-01 -6.400942147e-01 4.22 -6.161967342e-01 -6.161967342e-01 4.24 -5.930951789e-01 -5.930951789e-01 4.26 -5.707619834e-01 -5.707619834e-01 4.28 -5.491645962e-01 -5.491645962e-01 4.30 -5.282666850e-01 -5.282666850e-01 4.32 -5.080296705e-01 -5.080296705e-01 4.34 -4.884143944e-01 -4.884143944e-01 4.36 -4.693827398e-01 -4.693827398e-01 4.38 -4.508990432e-01 -4.508990432e-01 4.40 -4.329311759e-01 -4.329311759e-01 4.42 -4.154512186e-01 -4.154512186e-01 4.44 -3.984356982e-01 -3.984356982e-01 4.46 -3.818654085e-01 -3.818654085e-01 4.48 -3.657248838e-01 -3.657248838e-01 4.50 -3.500016419e-01 -3.500016419e-01 4.52 -3.346853404e-01 -3.346853404e-01 4.54 -3.197670039e-01 -3.197670039e-01 4.56 -3.052384601e-01 -3.052384601e-01 4.58 -2.910920837e-01 -2.910920837e-01 4.60 -2.773208860e-01 -2.773208860e-01 4.62 -2.639189197e-01 -2.639189197e-01 4.64 -2.508819067e-01 -2.508819067e-01 4.66 -2.382079547e-01 -2.382079547e-01 4.68 -2.258982043e-01 -2.258982043e-01 4.70 -2.139572581e-01 -2.139572581e-01 4.72 -2.023932758e-01 -2.023932758e-01 4.74 -1.912176657e-01 -1.912176657e-01 4.76 -1.804443700e-01 -1.804443700e-01 4.78 -1.700888009e-01 -1.700888009e-01 4.80 -1.601664987e-01 -1.601664987e-01 4.82 -1.506919193e-01 -1.506919193e-01 4.84 -1.416768498e-01 -1.416768498e-01 4.86 -1.331295107e-01 -1.331295107e-01 4.88 -1.250537492e-01 -1.250537492e-01 4.90 -1.174486725e-01 -1.174486725e-01 4.92 -1.103086700e-01 -1.103086700e-01 4.94 -1.036237715e-01 -1.036237715e-01 4.96 -9.738024971e-02 -9.738024971e-02 4.98 -9.156136359e-02 -9.156136359e-02 5.00 -8.614813656e-02 -8.614813656e-02 5.02 -8.112008182e-02 -8.112008182e-02 5.04 -7.645565129e-02 -7.645565129e-02 5.06 -7.213299246e-02 -7.213299246e-02 5.08 -6.813043926e-02 -6.813043926e-02 5.10 -6.442640668e-02 -6.442640668e-02 5.12 -6.099958939e-02 -6.099958939e-02 5.14 -5.782910472e-02 -5.782910472e-02 5.16 -5.489454854e-02 -5.489454854e-02 5.18 -5.217605593e-02 -5.217605593e-02 5.20 -4.965482295e-02 -4.965482295e-02 5.22 -4.731285178e-02 -4.731285178e-02 5.24 -4.513303266e-02 -4.513303266e-02 5.26 -4.309924264e-02 -4.309924264e-02 5.28 -4.119641447e-02 -4.119641447e-02 5.30 -3.941057430e-02 -3.941057430e-02 5.32 -3.772884941e-02 -3.772884941e-02 5.34 -3.613944846e-02 -3.613944846e-02 5.36 -3.463162078e-02 -3.463162078e-02 5.38 -3.319560119e-02 -3.319560119e-02 5.40 -3.182254534e-02 -3.182254534e-02 5.42 -3.050446187e-02 -3.050446187e-02 5.44 -2.923414634e-02 -2.923414634e-02 5.46 -2.800512129e-02 -2.800512129e-02 5.48 -2.681158554e-02 -2.681158554e-02 5.50 -2.564837514e-02 -2.564837514e-02 5.52 -2.451093738e-02 -2.451093738e-02 5.54 -2.339531816e-02 -2.339531816e-02 5.56 -2.229816456e-02 -2.229816456e-02 5.58 -2.121673715e-02 -2.121673715e-02 5.60 -2.014893202e-02 -2.014893202e-02 5.62 -1.909330887e-02 -1.909330887e-02 5.64 -1.804911984e-02 -1.804911984e-02 5.66 -1.701633297e-02 -1.701633297e-02 5.68 -1.599564355e-02 -1.599564355e-02 5.70 -1.498846609e-02 -1.498846609e-02 5.72 -1.399690034e-02 -1.399690034e-02 5.74 -1.302366621e-02 -1.302366621e-02 5.76 -1.207200348e-02 -1.207200348e-02 5.78 -1.114547021e-02 -1.114547021e-02 5.80 -1.024790941e-02 -1.024790941e-02 5.82 -9.383260460e-03 -9.383260460e-03 5.84 -8.555316871e-03 -8.555316871e-03 5.86 -7.767541934e-03 -7.767541934e-03 5.88 -7.022904255e-03 -7.022904255e-03 5.90 -6.323745456e-03 -6.323745456e-03 5.92 -5.671689093e-03 -5.671689093e-03 5.94 -5.067595311e-03 -5.067595311e-03 5.96 -4.511561025e-03 -4.511561025e-03 5.98 -4.002961065e-03 -4.002961065e-03 6.00 -3.540522485e-03 -3.540522485e-03