# 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 = Ti2WZr # 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 3.545273971e+02 3.545273971e+02 1.30 3.284618314e+02 3.284618314e+02 1.32 3.043494928e+02 3.043494928e+02 1.34 2.820311081e+02 2.820311081e+02 1.36 2.613599340e+02 2.613599340e+02 1.38 2.422016924e+02 2.422016924e+02 1.40 2.244340905e+02 2.244340905e+02 1.42 2.079458384e+02 2.079458384e+02 1.44 1.926359860e+02 1.926359860e+02 1.46 1.784136245e+02 1.784136245e+02 1.48 1.651971736e+02 1.651971736e+02 1.50 1.529129618e+02 1.529129618e+02 1.52 1.414937286e+02 1.414937286e+02 1.54 1.308776223e+02 1.308776223e+02 1.56 1.210078741e+02 1.210078741e+02 1.58 1.118326969e+02 1.118326969e+02 1.60 1.033048340e+02 1.033048340e+02 1.62 9.538069571e+01 9.538069571e+01 1.64 8.801946276e+01 8.801946276e+01 1.66 8.118240381e+01 8.118240381e+01 1.68 7.483250223e+01 7.483250223e+01 1.70 6.893450320e+01 6.893450320e+01 1.72 6.345518836e+01 6.345518836e+01 1.74 5.836368229e+01 5.836368229e+01 1.76 5.363151031e+01 5.363151031e+01 1.78 4.923240788e+01 4.923240788e+01 1.80 4.514202970e+01 4.514202970e+01 1.82 4.133777838e+01 4.133777838e+01 1.84 3.779872487e+01 3.779872487e+01 1.86 3.450566979e+01 3.450566979e+01 1.88 3.144117730e+01 3.144117730e+01 1.90 2.858950644e+01 2.858950644e+01 1.92 2.593639489e+01 2.593639489e+01 1.94 2.346877021e+01 2.346877021e+01 1.96 2.117491099e+01 2.117491099e+01 1.98 1.904425617e+01 1.904425617e+01 2.00 1.706630284e+01 1.706630284e+01 2.02 1.523112452e+01 1.523112452e+01 2.04 1.352907941e+01 1.352907941e+01 2.06 1.195091084e+01 1.195091084e+01 2.08 1.048771405e+01 1.048771405e+01 2.10 9.130979154e+00 9.130979154e+00 2.12 7.872671624e+00 7.872671624e+00 2.14 6.705317709e+00 6.705317709e+00 2.16 5.622075428e+00 5.622075428e+00 2.18 4.616754137e+00 4.616754137e+00 2.20 3.683787856e+00 3.683787856e+00 2.22 2.818152717e+00 2.818152717e+00 2.24 2.015273870e+00 2.015273870e+00 2.26 1.270947163e+00 1.270947163e+00 2.28 5.812764967e-01 5.812764967e-01 2.30 -5.733264690e-02 -5.733264690e-02 2.32 -6.482118701e-01 -6.482118701e-01 2.34 -1.194423482e+00 -1.194423482e+00 2.36 -1.698794225e+00 -1.698794225e+00 2.38 -2.163941101e+00 -2.163941101e+00 2.40 -2.592308161e+00 -2.592308161e+00 2.42 -2.986208420e+00 -2.986208420e+00 2.44 -3.347850887e+00 -3.347850887e+00 2.46 -3.679359311e+00 -3.679359311e+00 2.48 -3.982768574e+00 -3.982768574e+00 2.50 -4.260008004e+00 -4.260008004e+00 2.52 -4.512878961e+00 -4.512878961e+00 2.54 -4.743034986e+00 -4.743034986e+00 2.56 -4.951970469e+00 -4.951970469e+00 2.58 -5.141021053e+00 -5.141021053e+00 2.60 -5.311376320e+00 -5.311376320e+00 2.62 -5.464100562e+00 -5.464100562e+00 2.64 -5.600167722e+00 -5.600167722e+00 2.66 -5.720429847e+00 -5.720429847e+00 2.68 -5.825727634e+00 -5.825727634e+00 2.70 -5.916950614e+00 -5.916950614e+00 2.72 -5.994961366e+00 -5.994961366e+00 2.74 -6.060602499e+00 -6.060602499e+00 2.76 -6.114759585e+00 -6.114759585e+00 2.78 -6.158186692e+00 -6.158186692e+00 2.80 -6.191568299e+00 -6.191568299e+00 2.82 -6.215563352e+00 -6.215563352e+00 2.84 -6.230761651e+00 -6.230761651e+00 2.86 -6.237571268e+00 -6.237571268e+00 2.88 -6.236375620e+00 -6.236375620e+00 2.90 -6.227491997e+00 -6.227491997e+00 2.92 -6.211045322e+00 -6.211045322e+00 2.94 -6.187188267e+00 -6.187188267e+00 2.96 -6.156154289e+00 -6.156154289e+00 2.98 -6.118334569e+00 -6.118334569e+00 3.00 -6.074058883e+00 -6.074058883e+00 3.02 -6.023702194e+00 -6.023702194e+00 3.04 -5.967717285e+00 -5.967717285e+00 3.06 -5.906621736e+00 -5.906621736e+00 3.08 -5.840950329e+00 -5.840950329e+00 3.10 -5.771236615e+00 -5.771236615e+00 3.12 -5.697981988e+00 -5.697981988e+00 3.14 -5.621629192e+00 -5.621629192e+00 3.16 -5.542412784e+00 -5.542412784e+00 3.18 -5.460459317e+00 -5.460459317e+00 3.20 -5.375877296e+00 -5.375877296e+00 3.22 -5.288762365e+00 -5.288762365e+00 3.24 -5.199203933e+00 -5.199203933e+00 3.26 -5.107293012e+00 -5.107293012e+00 3.28 -5.013130365e+00 -5.013130365e+00 3.30 -4.916833928e+00 -4.916833928e+00 3.32 -4.818544500e+00 -4.818544500e+00 3.34 -4.718429157e+00 -4.718429157e+00 3.36 -4.616682525e+00 -4.616682525e+00 3.38 -4.513526602e+00 -4.513526602e+00 3.40 -4.409209035e+00 -4.409209035e+00 3.42 -4.304006243e+00 -4.304006243e+00 3.44 -4.198215869e+00 -4.198215869e+00 3.46 -4.092159331e+00 -4.092159331e+00 3.48 -3.986176972e+00 -3.986176972e+00 3.50 -3.880622180e+00 -3.880622180e+00 3.52 -3.775853030e+00 -3.775853030e+00 3.54 -3.672221690e+00 -3.672221690e+00 3.56 -3.570062303e+00 -3.570062303e+00 3.58 -3.469678524e+00 -3.469678524e+00 3.60 -3.371332169e+00 -3.371332169e+00 3.62 -3.275234497e+00 -3.275234497e+00 3.64 -3.181541307e+00 -3.181541307e+00 3.66 -3.090352441e+00 -3.090352441e+00 3.68 -3.001715487e+00 -3.001715487e+00 3.70 -2.915632832e+00 -2.915632832e+00 3.72 -2.832070853e+00 -2.832070853e+00 3.74 -2.750969967e+00 -2.750969967e+00 3.76 -2.672254462e+00 -2.672254462e+00 3.78 -2.595841298e+00 -2.595841298e+00 3.80 -2.521647352e+00 -2.521647352e+00 3.82 -2.449594768e+00 -2.449594768e+00 3.84 -2.379614258e+00 -2.379614258e+00 3.86 -2.311646335e+00 -2.311646335e+00 3.88 -2.245640672e+00 -2.245640672e+00 3.90 -2.181553959e+00 -2.181553959e+00 3.92 -2.119345004e+00 -2.119345004e+00 3.94 -2.058979361e+00 -2.058979361e+00 3.96 -2.000414129e+00 -2.000414129e+00 3.98 -1.943604884e+00 -1.943604884e+00 4.00 -1.888502623e+00 -1.888502623e+00 4.02 -1.835054072e+00 -1.835054072e+00 4.04 -1.783202736e+00 -1.783202736e+00 4.06 -1.732890342e+00 -1.732890342e+00 4.08 -1.684058320e+00 -1.684058320e+00 4.10 -1.636644468e+00 -1.636644468e+00 4.12 -1.590603364e+00 -1.590603364e+00 4.14 -1.545876358e+00 -1.545876358e+00 4.16 -1.502413472e+00 -1.502413472e+00 4.18 -1.460167747e+00 -1.460167747e+00 4.20 -1.419095146e+00 -1.419095146e+00 4.22 -1.379154359e+00 -1.379154359e+00 4.24 -1.340306566e+00 -1.340306566e+00 4.26 -1.302515195e+00 -1.302515195e+00 4.28 -1.265745699e+00 -1.265745699e+00 4.30 -1.229965380e+00 -1.229965380e+00 4.32 -1.195143235e+00 -1.195143235e+00 4.34 -1.161249855e+00 -1.161249855e+00 4.36 -1.128257331e+00 -1.128257331e+00 4.38 -1.096139187e+00 -1.096139187e+00 4.40 -1.064870308e+00 -1.064870308e+00 4.42 -1.034426856e+00 -1.034426856e+00 4.44 -1.004786176e+00 -1.004786176e+00 4.46 -9.759266855e-01 -9.759266855e-01 4.48 -9.478277364e-01 -9.478277364e-01 4.50 -9.204694754e-01 -9.204694754e-01 4.52 -8.938326910e-01 -8.938326910e-01 4.54 -8.678986644e-01 -8.678986644e-01 4.56 -8.426490284e-01 -8.426490284e-01 4.58 -8.180656421e-01 -8.180656421e-01 4.60 -7.941304870e-01 -7.941304870e-01 4.62 -7.708255875e-01 -7.708255875e-01 4.64 -7.481329600e-01 -7.481329600e-01 4.66 -7.260345906e-01 -7.260345906e-01 4.68 -7.045124422e-01 -7.045124422e-01 4.70 -6.835484941e-01 -6.835484941e-01 4.72 -6.631248100e-01 -6.631248100e-01 4.74 -6.432236393e-01 -6.432236393e-01 4.76 -6.238275489e-01 -6.238275489e-01 4.78 -6.049195874e-01 -6.049195874e-01 4.80 -5.864803415e-01 -5.864803415e-01 4.82 -5.685012370e-01 -5.685012370e-01 4.84 -5.509642724e-01 -5.509642724e-01 4.86 -5.338566112e-01 -5.338566112e-01 4.88 -5.171670446e-01 -5.171670446e-01 4.90 -5.008862029e-01 -5.008862029e-01 4.92 -4.850067057e-01 -4.850067057e-01 4.94 -4.695232192e-01 -4.695232192e-01 4.96 -4.544323904e-01 -4.544323904e-01 4.98 -4.397326338e-01 -4.397326338e-01 5.00 -4.254237612e-01 -4.254237612e-01 5.02 -4.115064649e-01 -4.115064649e-01 5.04 -3.979816883e-01 -3.979816883e-01 5.06 -3.848499358e-01 -3.848499358e-01 5.08 -3.721105923e-01 -3.721105923e-01 5.10 -3.597613247e-01 -3.597613247e-01 5.12 -3.477976280e-01 -3.477976280e-01 5.14 -3.362125606e-01 -3.362125606e-01 5.16 -3.249966885e-01 -3.249966885e-01 5.18 -3.141382271e-01 -3.141382271e-01 5.20 -3.036233535e-01 -3.036233535e-01 5.22 -2.934366422e-01 -2.934366422e-01 5.24 -2.835615759e-01 -2.835615759e-01 5.26 -2.739810834e-01 -2.739810834e-01 5.28 -2.646780665e-01 -2.646780665e-01 5.30 -2.556358833e-01 -2.556358833e-01 5.32 -2.468387691e-01 -2.468387691e-01 5.34 -2.382721790e-01 -2.382721790e-01 5.36 -2.299230446e-01 -2.299230446e-01 5.38 -2.217799389e-01 -2.217799389e-01 5.40 -2.138331454e-01 -2.138331454e-01 5.42 -2.060746331e-01 -2.060746331e-01 5.44 -1.984979406e-01 -1.984979406e-01 5.46 -1.910979818e-01 -1.910979818e-01 5.48 -1.838707892e-01 -1.838707892e-01 5.50 -1.768132220e-01 -1.768132220e-01 5.52 -1.699226708e-01 -1.699226708e-01 5.54 -1.631967916e-01 -1.631967916e-01 5.56 -1.566333020e-01 -1.566333020e-01 5.58 -1.502298658e-01 -1.502298658e-01 5.60 -1.439840767e-01 -1.439840767e-01 5.62 -1.378935437e-01 -1.378935437e-01 5.64 -1.319560598e-01 -1.319560598e-01 5.66 -1.261698277e-01 -1.261698277e-01 5.68 -1.205337053e-01 -1.205337053e-01 5.70 -1.150474269e-01 -1.150474269e-01 5.72 -1.097117636e-01 -1.097117636e-01 5.74 -1.045285867e-01 -1.045285867e-01 5.76 -9.950081386e-02 -9.950081386e-02 5.78 -9.463223040e-02 -9.463223040e-02 5.80 -8.992719283e-02 -8.992719283e-02 5.82 -8.539024055e-02 -8.539024055e-02 5.84 -8.102565024e-02 -8.102565024e-02 5.86 -7.683697808e-02 -7.683697808e-02 5.88 -7.282663469e-02 -7.282663469e-02 5.90 -6.899553430e-02 -6.899553430e-02 5.92 -6.534279656e-02 -6.534279656e-02 5.94 -6.186553597e-02 -6.186553597e-02 5.96 -5.855920507e-02 -5.855920507e-02 5.98 -5.541771010e-02 -5.541771010e-02 6.00 -5.243340083e-02 -5.243340083e-02