# 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 = CuNi2Ti # 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 1.312219582e+02 1.312219582e+02 1.30 1.204812008e+02 1.204812008e+02 1.32 1.105932336e+02 1.105932336e+02 1.34 1.014818559e+02 1.014818559e+02 1.36 9.307993656e+01 9.307993656e+01 1.38 8.532984806e+01 8.532984806e+01 1.40 7.818128213e+01 7.818128213e+01 1.42 7.158887348e+01 7.158887348e+01 1.44 6.551075544e+01 6.551075544e+01 1.46 5.990768761e+01 5.990768761e+01 1.48 5.474236931e+01 5.474236931e+01 1.50 4.997918266e+01 4.997918266e+01 1.52 4.558462739e+01 4.558462739e+01 1.54 4.152804946e+01 4.152804946e+01 1.56 3.778194650e+01 3.778194650e+01 1.58 3.432166760e+01 3.432166760e+01 1.60 3.112498898e+01 3.112498898e+01 1.62 2.817197414e+01 2.817197414e+01 1.64 2.544496702e+01 2.544496702e+01 1.66 2.292841937e+01 2.292841937e+01 1.68 2.060788199e+01 2.060788199e+01 1.70 1.846943656e+01 1.846943656e+01 1.72 1.649948420e+01 1.649948420e+01 1.74 1.468469631e+01 1.468469631e+01 1.76 1.301224809e+01 1.301224809e+01 1.78 1.147016550e+01 1.147016550e+01 1.80 1.004765612e+01 1.004765612e+01 1.82 8.735313382e+00 8.735313382e+00 1.84 7.525094992e+00 7.525094992e+00 1.86 6.410062151e+00 6.410062151e+00 1.88 5.383985045e+00 5.383985045e+00 1.90 4.440977324e+00 4.440977324e+00 1.92 3.575277549e+00 3.575277549e+00 1.94 2.781211348e+00 2.781211348e+00 1.96 2.053294390e+00 2.053294390e+00 1.98 1.386388852e+00 1.386388852e+00 2.00 7.758163928e-01 7.758163928e-01 2.02 2.173759391e-01 2.173759391e-01 2.04 -2.927155020e-01 -2.927155020e-01 2.06 -7.579024098e-01 -7.579024098e-01 2.08 -1.181346322e+00 -1.181346322e+00 2.10 -1.565949707e+00 -1.565949707e+00 2.12 -1.914367939e+00 -1.914367939e+00 2.14 -2.229031383e+00 -2.229031383e+00 2.16 -2.512185724e+00 -2.512185724e+00 2.18 -2.765946151e+00 -2.765946151e+00 2.20 -2.992354810e+00 -2.992354810e+00 2.22 -3.193430279e+00 -3.193430279e+00 2.24 -3.371198363e+00 -3.371198363e+00 2.26 -3.527698927e+00 -3.527698927e+00 2.28 -3.664971746e+00 -3.664971746e+00 2.30 -3.785028528e+00 -3.785028528e+00 2.32 -3.889816371e+00 -3.889816371e+00 2.34 -3.981168681e+00 -3.981168681e+00 2.36 -4.060744224e+00 -4.060744224e+00 2.38 -4.129965793e+00 -4.129965793e+00 2.40 -4.189981598e+00 -4.189981598e+00 2.42 -4.241667577e+00 -4.241667577e+00 2.44 -4.285724091e+00 -4.285724091e+00 2.46 -4.322606123e+00 -4.322606123e+00 2.48 -4.352627536e+00 -4.352627536e+00 2.50 -4.376078140e+00 -4.376078140e+00 2.52 -4.393246453e+00 -4.393246453e+00 2.54 -4.404435934e+00 -4.404435934e+00 2.56 -4.409965473e+00 -4.409965473e+00 2.58 -4.410155406e+00 -4.410155406e+00 2.60 -4.405243808e+00 -4.405243808e+00 2.62 -4.395573334e+00 -4.395573334e+00 2.64 -4.381489480e+00 -4.381489480e+00 2.66 -4.362955547e+00 -4.362955547e+00 2.68 -4.339832795e+00 -4.339832795e+00 2.70 -4.312094383e+00 -4.312094383e+00 2.72 -4.279839405e+00 -4.279839405e+00 2.74 -4.243268832e+00 -4.243268832e+00 2.76 -4.202655394e+00 -4.202655394e+00 2.78 -4.158321189e+00 -4.158321189e+00 2.80 -4.110615863e+00 -4.110615863e+00 2.82 -4.059864970e+00 -4.059864970e+00 2.84 -4.006354076e+00 -4.006354076e+00 2.86 -3.950328718e+00 -3.950328718e+00 2.88 -3.892002838e+00 -3.892002838e+00 2.90 -3.831570993e+00 -3.831570993e+00 2.92 -3.769220209e+00 -3.769220209e+00 2.94 -3.705139117e+00 -3.705139117e+00 2.96 -3.639523804e+00 -3.639523804e+00 2.98 -3.572580805e+00 -3.572580805e+00 3.00 -3.504527631e+00 -3.504527631e+00 3.02 -3.435590751e+00 -3.435590751e+00 3.04 -3.366000686e+00 -3.366000686e+00 3.06 -3.295984680e+00 -3.295984680e+00 3.08 -3.225757581e+00 -3.225757581e+00 3.10 -3.155513885e+00 -3.155513885e+00 3.12 -3.085422193e+00 -3.085422193e+00 3.14 -3.015623610e+00 -3.015623610e+00 3.16 -2.946233079e+00 -2.946233079e+00 3.18 -2.877343322e+00 -2.877343322e+00 3.20 -2.809029259e+00 -2.809029259e+00 3.22 -2.741352134e+00 -2.741352134e+00 3.24 -2.674362766e+00 -2.674362766e+00 3.26 -2.608103844e+00 -2.608103844e+00 3.28 -2.542611460e+00 -2.542611460e+00 3.30 -2.477916082e+00 -2.477916082e+00 3.32 -2.414043218e+00 -2.414043218e+00 3.34 -2.351013879e+00 -2.351013879e+00 3.36 -2.288844985e+00 -2.288844985e+00 3.38 -2.227549759e+00 -2.227549759e+00 3.40 -2.167138207e+00 -2.167138207e+00 3.42 -2.107617832e+00 -2.107617832e+00 3.44 -2.048994391e+00 -2.048994391e+00 3.46 -1.991273021e+00 -1.991273021e+00 3.48 -1.934459337e+00 -1.934459337e+00 3.50 -1.878560399e+00 -1.878560399e+00 3.52 -1.823585199e+00 -1.823585199e+00 3.54 -1.769544400e+00 -1.769544400e+00 3.56 -1.716449177e+00 -1.716449177e+00 3.58 -1.664309306e+00 -1.664309306e+00 3.60 -1.613130924e+00 -1.613130924e+00 3.62 -1.562914598e+00 -1.562914598e+00 3.64 -1.513654321e+00 -1.513654321e+00 3.66 -1.465337839e+00 -1.465337839e+00 3.68 -1.417948388e+00 -1.417948388e+00 3.70 -1.371467588e+00 -1.371467588e+00 3.72 -1.325879059e+00 -1.325879059e+00 3.74 -1.281172207e+00 -1.281172207e+00 3.76 -1.237345683e+00 -1.237345683e+00 3.78 -1.194410022e+00 -1.194410022e+00 3.80 -1.152389083e+00 -1.152389083e+00 3.82 -1.111319950e+00 -1.111319950e+00 3.84 -1.071251132e+00 -1.071251132e+00 3.86 -1.032239090e+00 -1.032239090e+00 3.88 -9.943433540e-01 -9.943433540e-01 3.90 -9.576208077e-01 -9.576208077e-01 3.92 -9.221198348e-01 -9.221198348e-01 3.94 -8.878752634e-01 -8.878752634e-01 3.96 -8.549044551e-01 -8.549044551e-01 3.98 -8.232054155e-01 -8.232054155e-01 4.00 -7.927566596e-01 -7.927566596e-01 4.02 -7.635187520e-01 -7.635187520e-01 4.04 -7.354370503e-01 -7.354370503e-01 4.06 -7.084451197e-01 -7.084451197e-01 4.08 -6.824683193e-01 -6.824683193e-01 4.10 -6.574271130e-01 -6.574271130e-01 4.12 -6.332402685e-01 -6.332402685e-01 4.14 -6.098268340e-01 -6.098268340e-01 4.16 -5.871083232e-01 -5.871083232e-01 4.18 -5.650101068e-01 -5.650101068e-01 4.20 -5.434625946e-01 -5.434625946e-01 4.22 -5.224022584e-01 -5.224022584e-01 4.24 -5.017726104e-01 -5.017726104e-01 4.26 -4.815252125e-01 -4.815252125e-01 4.28 -4.616207532e-01 -4.616207532e-01 4.30 -4.420301746e-01 -4.420301746e-01 4.32 -4.227357784e-01 -4.227357784e-01 4.34 -4.037321907e-01 -4.037321907e-01 4.36 -3.850270202e-01 -3.850270202e-01 4.38 -3.666410222e-01 -3.666410222e-01 4.40 -3.486075848e-01 -3.486075848e-01 4.42 -3.309713948e-01 -3.309713948e-01 4.44 -3.137862199e-01 -3.137862199e-01 4.46 -2.971118594e-01 -2.971118594e-01 4.48 -2.810104416e-01 -2.810104416e-01 4.50 -2.655423696e-01 -2.655423696e-01 4.52 -2.507622974e-01 -2.507622974e-01 4.54 -2.367155426e-01 -2.367155426e-01 4.56 -2.234352934e-01 -2.234352934e-01 4.58 -2.109408593e-01 -2.109408593e-01 4.60 -1.992370651e-01 -1.992370651e-01 4.62 -1.883147363e-01 -1.883147363e-01 4.64 -1.781520944e-01 -1.781520944e-01 4.66 -1.687168002e-01 -1.687168002e-01 4.68 -1.599683555e-01 -1.599683555e-01 4.70 -1.518605962e-01 -1.518605962e-01 4.72 -1.443440487e-01 -1.443440487e-01 4.74 -1.373677580e-01 -1.373677580e-01 4.76 -1.308816714e-01 -1.308816714e-01 4.78 -1.248376958e-01 -1.248376958e-01 4.80 -1.191904382e-01 -1.191904382e-01 4.82 -1.138981013e-01 -1.138981013e-01 4.84 -1.089226458e-01 -1.089226458e-01 4.86 -1.042301989e-01 -1.042301989e-01 4.88 -9.979105198e-02 -9.979105198e-02 4.90 -9.557958488e-02 -9.557958488e-02 4.92 -9.157409467e-02 -9.157409467e-02 4.94 -8.775654718e-02 -8.775654718e-02 4.96 -8.411226240e-02 -8.411226240e-02 4.98 -8.062953890e-02 -8.062953890e-02 5.00 -7.729922531e-02 -7.729922531e-02 5.02 -7.411424915e-02 -7.411424915e-02 5.04 -7.106912025e-02 -7.106912025e-02 5.06 -6.815943292e-02 -6.815943292e-02 5.08 -6.538139126e-02 -6.538139126e-02 5.10 -6.273128280e-02 -6.273128280e-02 5.12 -6.020539879e-02 -6.020539879e-02 5.14 -5.779971425e-02 -5.779971425e-02 5.16 -5.550966442e-02 -5.550966442e-02 5.18 -5.333010530e-02 -5.333010530e-02 5.20 -5.125535156e-02 -5.125535156e-02 5.22 -4.927927016e-02 -4.927927016e-02 5.24 -4.739540638e-02 -4.739540638e-02 5.26 -4.559712148e-02 -4.559712148e-02 5.28 -4.387772543e-02 -4.387772543e-02 5.30 -4.223059345e-02 -4.223059345e-02 5.32 -4.064926046e-02 -4.064926046e-02 5.34 -3.912749185e-02 -3.912749185e-02 5.36 -3.765933187e-02 -3.765933187e-02 5.38 -3.623913355e-02 -3.623913355e-02 5.40 -3.486157451e-02 -3.486157451e-02 5.42 -3.352166372e-02 -3.352166372e-02 5.44 -3.221474392e-02 -3.221474392e-02 5.46 -3.093649390e-02 -3.093649390e-02 5.48 -2.968293432e-02 -2.968293432e-02 5.50 -2.845043975e-02 -2.845043975e-02 5.52 -2.723575905e-02 -2.723575905e-02 5.54 -2.603604528e-02 -2.603604528e-02 5.56 -2.484889473e-02 -2.484889473e-02 5.58 -2.367239475e-02 -2.367239475e-02 5.60 -2.250517786e-02 -2.250517786e-02 5.62 -2.134647822e-02 -2.134647822e-02 5.64 -2.019618562e-02 -2.019618562e-02 5.66 -1.905489045e-02 -1.905489045e-02 5.68 -1.792391235e-02 -1.792391235e-02 5.70 -1.680530494e-02 -1.680530494e-02 5.72 -1.570182922e-02 -1.570182922e-02 5.74 -1.461689027e-02 -1.461689027e-02 5.76 -1.355443168e-02 -1.355443168e-02 5.78 -1.251866153e-02 -1.251866153e-02 5.80 -1.151412154e-02 -1.151412154e-02 5.82 -1.054547217e-02 -1.054547217e-02 5.84 -9.617181365e-03 -9.617181365e-03 5.86 -8.733319456e-03 -8.733319456e-03 5.88 -7.897376053e-03 -7.897376053e-03 5.90 -7.112113057e-03 -7.112113057e-03 5.92 -6.379464030e-03 -6.379464030e-03 5.94 -5.700485118e-03 -5.700485118e-03 5.96 -5.075357290e-03 -5.075357290e-03 5.98 -4.503434717e-03 -4.503434717e-03 6.00 -3.983330445e-03 -3.983330445e-03