# 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 = Cu2MgW # 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 2.559333339e+02 2.559333339e+02 1.30 2.358527208e+02 2.358527208e+02 1.32 2.173622682e+02 2.173622682e+02 1.34 2.003284492e+02 2.003284492e+02 1.36 1.846262794e+02 1.846262794e+02 1.38 1.701395907e+02 1.701395907e+02 1.40 1.567622232e+02 1.567622232e+02 1.42 1.443993183e+02 1.443993183e+02 1.44 1.329673077e+02 1.329673077e+02 1.46 1.223923054e+02 1.223923054e+02 1.48 1.126078969e+02 1.126078969e+02 1.50 1.035535066e+02 1.035535066e+02 1.52 9.517374181e+01 9.517374181e+01 1.54 8.741818793e+01 8.741818793e+01 1.56 8.024104207e+01 8.024104207e+01 1.58 7.360057789e+01 7.360057789e+01 1.60 6.745875022e+01 6.745875022e+01 1.62 6.178101166e+01 6.178101166e+01 1.64 5.653654036e+01 5.653654036e+01 1.66 5.169665485e+01 5.169665485e+01 1.68 4.723429394e+01 4.723429394e+01 1.70 4.312350942e+01 4.312350942e+01 1.72 3.933872890e+01 3.933872890e+01 1.74 3.585464011e+01 3.585464011e+01 1.76 3.264632268e+01 3.264632268e+01 1.78 2.968968934e+01 2.968968934e+01 1.80 2.696195879e+01 2.696195879e+01 1.82 2.444226262e+01 2.444226262e+01 1.84 2.211208202e+01 2.211208202e+01 1.86 1.995541277e+01 1.995541277e+01 1.88 1.795864063e+01 1.795864063e+01 1.90 1.611019884e+01 1.611019884e+01 1.92 1.440011671e+01 1.440011671e+01 1.94 1.281957694e+01 1.281957694e+01 1.96 1.136055900e+01 1.136055900e+01 1.98 1.001559146e+01 1.001559146e+01 2.00 8.777586035e+00 8.777586035e+00 2.02 7.639718044e+00 7.639718044e+00 2.04 6.595337296e+00 6.595337296e+00 2.06 5.637910314e+00 5.637910314e+00 2.08 4.761002103e+00 4.761002103e+00 2.10 3.958304444e+00 3.958304444e+00 2.12 3.223706855e+00 3.223706855e+00 2.14 2.551394109e+00 2.551394109e+00 2.16 1.935945718e+00 1.935945718e+00 2.18 1.372486103e+00 1.372486103e+00 2.20 8.565887747e-01 8.565887747e-01 2.22 3.840594218e-01 3.840594218e-01 2.24 -4.879977710e-02 -4.879977710e-02 2.26 -4.452685197e-01 -4.452685197e-01 2.28 -8.083028739e-01 -8.083028739e-01 2.30 -1.140469967e+00 -1.140469967e+00 2.32 -1.443749149e+00 -1.443749149e+00 2.34 -1.720069251e+00 -1.720069251e+00 2.36 -1.971350367e+00 -1.971350367e+00 2.38 -2.199417128e+00 -2.199417128e+00 2.40 -2.405940006e+00 -2.405940006e+00 2.42 -2.592415155e+00 -2.592415155e+00 2.44 -2.760176786e+00 -2.760176786e+00 2.46 -2.910428147e+00 -2.910428147e+00 2.48 -3.044273921e+00 -3.044273921e+00 2.50 -3.162745075e+00 -3.162745075e+00 2.52 -3.266813912e+00 -3.266813912e+00 2.54 -3.357401771e+00 -3.357401771e+00 2.56 -3.435383121e+00 -3.435383121e+00 2.58 -3.501589202e+00 -3.501589202e+00 2.60 -3.556813067e+00 -3.556813067e+00 2.62 -3.601816319e+00 -3.601816319e+00 2.64 -3.637337658e+00 -3.637337658e+00 2.66 -3.664099211e+00 -3.664099211e+00 2.68 -3.682811600e+00 -3.682811600e+00 2.70 -3.694172923e+00 -3.694172923e+00 2.72 -3.699180165e+00 -3.699180165e+00 2.74 -3.698513538e+00 -3.698513538e+00 2.76 -3.692321208e+00 -3.692321208e+00 2.78 -3.680787257e+00 -3.680787257e+00 2.80 -3.664114862e+00 -3.664114862e+00 2.82 -3.642514116e+00 -3.642514116e+00 2.84 -3.616198196e+00 -3.616198196e+00 2.86 -3.585384256e+00 -3.585384256e+00 2.88 -3.550307391e+00 -3.550307391e+00 2.90 -3.511256796e+00 -3.511256796e+00 2.92 -3.468537557e+00 -3.468537557e+00 2.94 -3.422460107e+00 -3.422460107e+00 2.96 -3.373340203e+00 -3.373340203e+00 2.98 -3.321495735e+00 -3.321495735e+00 3.00 -3.267240845e+00 -3.267240845e+00 3.02 -3.210878311e+00 -3.210878311e+00 3.04 -3.152690957e+00 -3.152690957e+00 3.06 -3.092944485e+00 -3.092944485e+00 3.08 -3.031888651e+00 -3.031888651e+00 3.10 -2.969635187e+00 -2.969635187e+00 3.12 -2.906272303e+00 -2.906272303e+00 3.14 -2.841877005e+00 -2.841877005e+00 3.16 -2.776501151e+00 -2.776501151e+00 3.18 -2.710099531e+00 -2.710099531e+00 3.20 -2.642598813e+00 -2.642598813e+00 3.22 -2.573961455e+00 -2.573961455e+00 3.24 -2.504176214e+00 -2.504176214e+00 3.26 -2.433254242e+00 -2.433254242e+00 3.28 -2.361230571e+00 -2.361230571e+00 3.30 -2.288169039e+00 -2.288169039e+00 3.32 -2.214168673e+00 -2.214168673e+00 3.34 -2.139369744e+00 -2.139369744e+00 3.36 -2.063958052e+00 -2.063958052e+00 3.38 -1.988166363e+00 -1.988166363e+00 3.40 -1.912272249e+00 -1.912272249e+00 3.42 -1.836592347e+00 -1.836592347e+00 3.44 -1.761472351e+00 -1.761472351e+00 3.46 -1.687274392e+00 -1.687274392e+00 3.48 -1.614361946e+00 -1.614361946e+00 3.50 -1.543083951e+00 -1.543083951e+00 3.52 -1.473759537e+00 -1.473759537e+00 3.54 -1.406664822e+00 -1.406664822e+00 3.56 -1.342022910e+00 -1.342022910e+00 3.58 -1.279997857e+00 -1.279997857e+00 3.60 -1.220692842e+00 -1.220692842e+00 3.62 -1.164152320e+00 -1.164152320e+00 3.64 -1.110367569e+00 -1.110367569e+00 3.66 -1.059284767e+00 -1.059284767e+00 3.68 -1.010814672e+00 -1.010814672e+00 3.70 -9.648429548e-01 -9.648429548e-01 3.72 -9.212403613e-01 -9.212403613e-01 3.74 -8.798719875e-01 -8.798719875e-01 3.76 -8.406051043e-01 -8.406051043e-01 3.78 -8.033151141e-01 -8.033151141e-01 3.80 -7.678893764e-01 -7.678893764e-01 3.82 -7.342288182e-01 -7.342288182e-01 3.84 -7.022474528e-01 -7.022474528e-01 3.86 -6.718701565e-01 -6.718701565e-01 3.88 -6.430292533e-01 -6.430292533e-01 3.90 -6.156605899e-01 -6.156605899e-01 3.92 -5.896996620e-01 -5.896996620e-01 3.94 -5.650792186e-01 -5.650792186e-01 3.96 -5.417265187e-01 -5.417265187e-01 3.98 -5.195633720e-01 -5.195633720e-01 4.00 -4.985064579e-01 -4.985064579e-01 4.02 -4.784686170e-01 -4.784686170e-01 4.04 -4.593605850e-01 -4.593605850e-01 4.06 -4.410928435e-01 -4.410928435e-01 4.08 -4.235773456e-01 -4.235773456e-01 4.10 -4.067287025e-01 -4.067287025e-01 4.12 -3.904664965e-01 -3.904664965e-01 4.14 -3.747143328e-01 -3.747143328e-01 4.16 -3.594018172e-01 -3.594018172e-01 4.18 -3.444647866e-01 -3.444647866e-01 4.20 -3.298458696e-01 -3.298458696e-01 4.22 -3.154951034e-01 -3.154951034e-01 4.24 -3.013706497e-01 -3.013706497e-01 4.26 -2.874396165e-01 -2.874396165e-01 4.28 -2.736789493e-01 -2.736789493e-01 4.30 -2.600763090e-01 -2.600763090e-01 4.32 -2.466308142e-01 -2.466308142e-01 4.34 -2.333534864e-01 -2.333534864e-01 4.36 -2.202672271e-01 -2.202672271e-01 4.38 -2.074061623e-01 -2.074061623e-01 4.40 -1.948142410e-01 -1.948142410e-01 4.42 -1.825430530e-01 -1.825430530e-01 4.44 -1.706489410e-01 -1.706489410e-01 4.46 -1.591895991e-01 -1.591895991e-01 4.48 -1.482204504e-01 -1.482204504e-01 4.50 -1.377911561e-01 -1.377911561e-01 4.52 -1.279426071e-01 -1.279426071e-01 4.54 -1.187046895e-01 -1.187046895e-01 4.56 -1.100950016e-01 -1.100950016e-01 4.58 -1.021185673e-01 -1.021185673e-01 4.60 -9.476845977e-02 -9.476845977e-02 4.62 -8.802715772e-02 -8.802715772e-02 4.64 -8.186837871e-02 -8.186837871e-02 4.66 -7.625915003e-02 -7.625915003e-02 4.68 -7.116193178e-02 -7.116193178e-02 4.70 -6.653656799e-02 -6.653656799e-02 4.72 -6.234109868e-02 -6.234109868e-02 4.74 -5.853501247e-02 -5.853501247e-02 4.76 -5.507995530e-02 -5.507995530e-02 4.78 -5.193937536e-02 -5.193937536e-02 4.80 -4.907897447e-02 -4.907897447e-02 4.82 -4.646793197e-02 -4.646793197e-02 4.84 -4.407769377e-02 -4.407769377e-02 4.86 -4.188290561e-02 -4.188290561e-02 4.88 -3.986104059e-02 -3.986104059e-02 4.90 -3.799221163e-02 -3.799221163e-02 4.92 -3.625894758e-02 -3.625894758e-02 4.94 -3.464591960e-02 -3.464591960e-02 4.96 -3.313975755e-02 -3.313975755e-02 4.98 -3.172883889e-02 -3.172883889e-02 5.00 -3.040303174e-02 -3.040303174e-02 5.02 -2.915350298e-02 -2.915350298e-02 5.04 -2.797254577e-02 -2.797254577e-02 5.06 -2.685342649e-02 -2.685342649e-02 5.08 -2.579025084e-02 -2.579025084e-02 5.10 -2.477784764e-02 -2.477784764e-02 5.12 -2.381166927e-02 -2.381166927e-02 5.14 -2.288770706e-02 -2.288770706e-02 5.16 -2.200242039e-02 -2.200242039e-02 5.18 -2.115267794e-02 -2.115267794e-02 5.20 -2.033570990e-02 -2.033570990e-02 5.22 -1.954906981e-02 -1.954906981e-02 5.24 -1.879060477e-02 -1.879060477e-02 5.26 -1.805843275e-02 -1.805843275e-02 5.28 -1.735092569e-02 -1.735092569e-02 5.30 -1.666669675e-02 -1.666669675e-02 5.32 -1.600459020e-02 -1.600459020e-02 5.34 -1.536367160e-02 -1.536367160e-02 5.36 -1.474319492e-02 -1.474319492e-02 5.38 -1.414262678e-02 -1.414262678e-02 5.40 -1.356162818e-02 -1.356162818e-02 5.42 -1.300001497e-02 -1.300001497e-02 5.44 -1.245772800e-02 -1.245772800e-02 5.46 -1.193479740e-02 -1.193479740e-02 5.48 -1.143130275e-02 -1.143130275e-02 5.50 -1.094733113e-02 -1.094733113e-02 5.52 -1.048293616e-02 -1.048293616e-02 5.54 -1.003810111e-02 -1.003810111e-02 5.56 -9.612708998e-03 -9.612708998e-03 5.58 -9.206521752e-03 -9.206521752e-03 5.60 -8.819169560e-03 -8.819169560e-03 5.62 -8.450150402e-03 -8.450150402e-03 5.64 -8.098838610e-03 -8.098838610e-03 5.66 -7.764500571e-03 -7.764500571e-03 5.68 -7.446315254e-03 -7.446315254e-03 5.70 -7.143397142e-03 -7.143397142e-03 5.72 -6.854819442e-03 -6.854819442e-03 5.74 -6.579635837e-03 -6.579635837e-03 5.76 -6.316899612e-03 -6.316899612e-03 5.78 -6.065679503e-03 -6.065679503e-03 5.80 -5.825072055e-03 -5.825072055e-03 5.82 -5.594210662e-03 -5.594210662e-03 5.84 -5.372271645e-03 -5.372271645e-03 5.86 -5.158477920e-03 -5.158477920e-03 5.88 -4.952100792e-03 -4.952100792e-03 5.90 -4.752460466e-03 -4.752460466e-03 5.92 -4.558925767e-03 -4.558925767e-03 5.94 -4.370913530e-03 -4.370913530e-03 5.96 -4.187888015e-03 -4.187888015e-03 5.98 -4.009360659e-03 -4.009360659e-03 6.00 -3.834890341e-03 -3.834890341e-03