# 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 = Mg2MoW # 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 4.711585650e+02 4.711585650e+02 1.30 4.363833773e+02 4.363833773e+02 1.32 4.042497396e+02 4.042497396e+02 1.34 3.745387544e+02 3.745387544e+02 1.36 3.470471350e+02 3.470471350e+02 1.38 3.215874408e+02 3.215874408e+02 1.40 2.979893271e+02 2.979893271e+02 1.42 2.761002478e+02 2.761002478e+02 1.44 2.557847927e+02 2.557847927e+02 1.46 2.369227712e+02 2.369227712e+02 1.48 2.194067316e+02 2.194067316e+02 1.50 2.031396269e+02 2.031396269e+02 1.52 1.880330252e+02 1.880330252e+02 1.54 1.740058607e+02 1.740058607e+02 1.56 1.609835356e+02 1.609835356e+02 1.58 1.488971471e+02 1.488971471e+02 1.60 1.376827212e+02 1.376827212e+02 1.62 1.272804728e+02 1.272804728e+02 1.64 1.176341947e+02 1.176341947e+02 1.66 1.086908246e+02 1.086908246e+02 1.68 1.004001858e+02 1.004001858e+02 1.70 9.271485111e+01 9.271485111e+01 1.72 8.559019979e+01 8.559019979e+01 1.74 7.898465699e+01 7.898465699e+01 1.76 7.285953413e+01 7.285953413e+01 1.78 6.717958296e+01 6.717958296e+01 1.80 6.190988781e+01 6.190988781e+01 1.82 5.701793872e+01 5.701793872e+01 1.84 5.247388345e+01 5.247388345e+01 1.86 4.825129238e+01 4.825129238e+01 1.88 4.432672719e+01 4.432672719e+01 1.90 4.067947747e+01 4.067947747e+01 1.92 3.729112242e+01 3.729112242e+01 1.94 3.414501396e+01 3.414501396e+01 1.96 3.122579965e+01 3.122579965e+01 1.98 2.851906134e+01 2.851906134e+01 2.00 2.601107439e+01 2.601107439e+01 2.02 2.368865642e+01 2.368865642e+01 2.04 2.153907560e+01 2.153907560e+01 2.06 1.955000184e+01 1.955000184e+01 2.08 1.770950036e+01 1.770950036e+01 2.10 1.600607696e+01 1.600607696e+01 2.12 1.442877423e+01 1.442877423e+01 2.14 1.296730254e+01 1.296730254e+01 2.16 1.161217406e+01 1.161217406e+01 2.18 1.035479768e+01 1.035479768e+01 2.20 9.187510821e+00 9.187510821e+00 2.22 8.103539276e+00 8.103539276e+00 2.24 7.096905143e+00 7.096905143e+00 2.26 6.162307668e+00 6.162307668e+00 2.28 5.294998485e+00 5.294998485e+00 2.30 4.490726218e+00 4.490726218e+00 2.32 3.745566016e+00 3.745566016e+00 2.34 3.055726020e+00 3.055726020e+00 2.36 2.417666627e+00 2.417666627e+00 2.38 1.828063010e+00 1.828063010e+00 2.40 1.283779051e+00 1.283779051e+00 2.42 7.818524634e-01 7.818524634e-01 2.44 3.194931184e-01 3.194931184e-01 2.46 -1.057752033e-01 -1.057752033e-01 2.48 -4.960210860e-01 -4.960210860e-01 2.50 -8.532273703e-01 -8.532273703e-01 2.52 -1.179460218e+00 -1.179460218e+00 2.54 -1.476635783e+00 -1.476635783e+00 2.56 -1.746515743e+00 -1.746515743e+00 2.58 -1.990713549e+00 -1.990713549e+00 2.60 -2.210706519e+00 -2.210706519e+00 2.62 -2.407852032e+00 -2.407852032e+00 2.64 -2.583318345e+00 -2.583318345e+00 2.66 -2.738007498e+00 -2.738007498e+00 2.68 -2.872780811e+00 -2.872780811e+00 2.70 -2.988496288e+00 -2.988496288e+00 2.72 -3.086011419e+00 -3.086011419e+00 2.74 -3.166184027e+00 -3.166184027e+00 2.76 -3.229871834e+00 -3.229871834e+00 2.78 -3.277931811e+00 -3.277931811e+00 2.80 -3.311222316e+00 -3.311222316e+00 2.82 -3.330605630e+00 -3.330605630e+00 2.84 -3.336956802e+00 -3.336956802e+00 2.86 -3.331174297e+00 -3.331174297e+00 2.88 -3.314192788e+00 -3.314192788e+00 2.90 -3.286995375e+00 -3.286995375e+00 2.92 -3.250622192e+00 -3.250622192e+00 2.94 -3.206172244e+00 -3.206172244e+00 2.96 -3.154795853e+00 -3.154795853e+00 2.98 -3.097676369e+00 -3.097676369e+00 3.00 -3.036001650e+00 -3.036001650e+00 3.02 -2.970927877e+00 -2.970927877e+00 3.04 -2.903539778e+00 -2.903539778e+00 3.06 -2.834814049e+00 -2.834814049e+00 3.08 -2.765586979e+00 -2.765586979e+00 3.10 -2.696535794e+00 -2.696535794e+00 3.12 -2.628170503e+00 -2.628170503e+00 3.14 -2.560841537e+00 -2.560841537e+00 3.16 -2.494751354e+00 -2.494751354e+00 3.18 -2.429980247e+00 -2.429980247e+00 3.20 -2.366512570e+00 -2.366512570e+00 3.22 -2.304264754e+00 -2.304264754e+00 3.24 -2.243111859e+00 -2.243111859e+00 3.26 -2.182910940e+00 -2.182910940e+00 3.28 -2.123520102e+00 -2.123520102e+00 3.30 -2.064812818e+00 -2.064812818e+00 3.32 -2.006687607e+00 -2.006687607e+00 3.34 -1.949090300e+00 -1.949090300e+00 3.36 -1.892051000e+00 -1.892051000e+00 3.38 -1.835396184e+00 -1.835396184e+00 3.40 -1.778976077e+00 -1.778976077e+00 3.42 -1.722714793e+00 -1.722714793e+00 3.44 -1.666365638e+00 -1.666365638e+00 3.46 -1.609361066e+00 -1.609361066e+00 3.48 -1.551335735e+00 -1.551335735e+00 3.50 -1.492180340e+00 -1.492180340e+00 3.52 -1.432015150e+00 -1.432015150e+00 3.54 -1.371147649e+00 -1.371147649e+00 3.56 -1.310019517e+00 -1.310019517e+00 3.58 -1.249149549e+00 -1.249149549e+00 3.60 -1.189079131e+00 -1.189079131e+00 3.62 -1.130325618e+00 -1.130325618e+00 3.64 -1.073347024e+00 -1.073347024e+00 3.66 -1.018519266e+00 -1.018519266e+00 3.68 -9.661253615e-01 -9.661253615e-01 3.70 -9.163546683e-01 -9.163546683e-01 3.72 -8.693096059e-01 -8.693096059e-01 3.74 -8.250171838e-01 -8.250171838e-01 3.76 -7.834429447e-01 -7.834429447e-01 3.78 -7.445054128e-01 -7.445054128e-01 3.80 -7.080896840e-01 -7.080896840e-01 3.82 -6.740593006e-01 -6.740593006e-01 3.84 -6.422659801e-01 -6.422659801e-01 3.86 -6.125570962e-01 -6.125570962e-01 3.88 -5.847810510e-01 -5.847810510e-01 3.90 -5.587908419e-01 -5.587908419e-01 3.92 -5.344459690e-01 -5.344459690e-01 3.94 -5.116146191e-01 -5.116146191e-01 3.96 -4.901725460e-01 -4.901725460e-01 3.98 -4.700043945e-01 -4.700043945e-01 4.00 -4.510033825e-01 -4.510033825e-01 4.02 -4.330712065e-01 -4.330712065e-01 4.04 -4.161178817e-01 -4.161178817e-01 4.06 -4.000615110e-01 -4.000615110e-01 4.08 -3.848279681e-01 -3.848279681e-01 4.10 -3.703497308e-01 -3.703497308e-01 4.12 -3.565686121e-01 -3.565686121e-01 4.14 -3.434301401e-01 -3.434301401e-01 4.16 -3.308865833e-01 -3.308865833e-01 4.18 -3.188954124e-01 -3.188954124e-01 4.20 -3.074187349e-01 -3.074187349e-01 4.22 -2.964227576e-01 -2.964227576e-01 4.24 -2.858772864e-01 -2.858772864e-01 4.26 -2.757552710e-01 -2.757552710e-01 4.28 -2.660323967e-01 -2.660323967e-01 4.30 -2.566867227e-01 -2.566867227e-01 4.32 -2.476983662e-01 -2.476983662e-01 4.34 -2.390492283e-01 -2.390492283e-01 4.36 -2.307227582e-01 -2.307227582e-01 4.38 -2.227037515e-01 -2.227037515e-01 4.40 -2.149781784e-01 -2.149781784e-01 4.42 -2.075330379e-01 -2.075330379e-01 4.44 -2.003562338e-01 -2.003562338e-01 4.46 -1.934364695e-01 -1.934364695e-01 4.48 -1.867631590e-01 -1.867631590e-01 4.50 -1.803263508e-01 -1.803263508e-01 4.52 -1.741166643e-01 -1.741166643e-01 4.54 -1.681252291e-01 -1.681252291e-01 4.56 -1.623436400e-01 -1.623436400e-01 4.58 -1.567639154e-01 -1.567639154e-01 4.60 -1.513784612e-01 -1.513784612e-01 4.62 -1.461800388e-01 -1.461800388e-01 4.64 -1.411617372e-01 -1.411617372e-01 4.66 -1.363169482e-01 -1.363169482e-01 4.68 -1.316393445e-01 -1.316393445e-01 4.70 -1.271228599e-01 -1.271228599e-01 4.72 -1.227616714e-01 -1.227616714e-01 4.74 -1.185501836e-01 -1.185501836e-01 4.76 -1.144830135e-01 -1.144830135e-01 4.78 -1.105549778e-01 -1.105549778e-01 4.80 -1.067606711e-01 -1.067606711e-01 4.82 -1.030961631e-01 -1.030961631e-01 4.84 -9.955625785e-02 -9.955625785e-02 4.86 -9.613626389e-02 -9.613626389e-02 4.88 -9.283185996e-02 -9.283185996e-02 4.90 -8.963888363e-02 -8.963888363e-02 4.92 -8.655329336e-02 -8.655329336e-02 4.94 -8.357116255e-02 -8.357116255e-02 4.96 -8.068867378e-02 -8.068867378e-02 4.98 -7.790211362e-02 -7.790211362e-02 5.00 -7.520786802e-02 -7.520786802e-02 5.02 -7.260241830e-02 -7.260241830e-02 5.04 -7.008233806e-02 -7.008233806e-02 5.06 -6.764429104e-02 -6.764429104e-02 5.08 -6.528503025e-02 -6.528503025e-02 5.10 -6.300139863e-02 -6.300139863e-02 5.12 -6.079033128e-02 -6.079033128e-02 5.14 -5.864886027e-02 -5.864886027e-02 5.16 -5.657412165e-02 -5.657412165e-02 5.18 -5.456336475e-02 -5.456336475e-02 5.20 -5.261396453e-02 -5.261396453e-02 5.22 -5.072343672e-02 -5.072343672e-02 5.24 -4.888945561e-02 -4.888945561e-02 5.26 -4.710987386e-02 -4.710987386e-02 5.28 -4.538274349e-02 -4.538274349e-02 5.30 -4.370633661e-02 -4.370633661e-02 5.32 -4.207916393e-02 -4.207916393e-02 5.34 -4.049998891e-02 -4.049998891e-02 5.36 -3.896783488e-02 -3.896783488e-02 5.38 -3.748198152e-02 -3.748198152e-02 5.40 -3.604194991e-02 -3.604194991e-02 5.42 -3.464747372e-02 -3.464747372e-02 5.44 -3.329845620e-02 -3.329845620e-02 5.46 -3.199491417e-02 -3.199491417e-02 5.48 -3.073691225e-02 -3.073691225e-02 5.50 -2.952449192e-02 -2.952449192e-02 5.52 -2.835760104e-02 -2.835760104e-02 5.54 -2.723603015e-02 -2.723603015e-02 5.56 -2.615936082e-02 -2.615936082e-02 5.58 -2.512693046e-02 -2.512693046e-02 5.60 -2.413781551e-02 -2.413781551e-02 5.62 -2.319083323e-02 -2.319083323e-02 5.64 -2.228455993e-02 -2.228455993e-02 5.66 -2.141736217e-02 -2.141736217e-02 5.68 -2.058743670e-02 -2.058743670e-02 5.70 -1.979285457e-02 -1.979285457e-02 5.72 -1.903160557e-02 -1.903160557e-02 5.74 -1.830163925e-02 -1.830163925e-02 5.76 -1.760086879e-02 -1.760086879e-02 5.78 -1.692725461e-02 -1.692725461e-02 5.80 -1.627883037e-02 -1.627883037e-02 5.82 -1.565369675e-02 -1.565369675e-02 5.84 -1.505003363e-02 -1.505003363e-02 5.86 -1.446610803e-02 -1.446610803e-02 5.88 -1.390027866e-02 -1.390027866e-02 5.90 -1.335099829e-02 -1.335099829e-02 5.92 -1.281681510e-02 -1.281681510e-02 5.94 -1.229637365e-02 -1.229637365e-02 5.96 -1.178841649e-02 -1.178841649e-02 5.98 -1.129178674e-02 -1.129178674e-02 6.00 -1.080543226e-02 -1.080543226e-02