# 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 = Mg2WZr # 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 5.038664038e+02 5.038664038e+02 1.30 4.674451532e+02 4.674451532e+02 1.32 4.337330033e+02 4.337330033e+02 1.34 4.025148666e+02 4.025148666e+02 1.36 3.735925857e+02 3.735925857e+02 1.38 3.467833238e+02 3.467833238e+02 1.40 3.219189620e+02 3.219189620e+02 1.42 2.988453995e+02 2.988453995e+02 1.44 2.774218024e+02 2.774218024e+02 1.46 2.575201817e+02 2.575201817e+02 1.48 2.390249580e+02 2.390249580e+02 1.50 2.218318068e+02 2.218318068e+02 1.52 2.058459569e+02 2.058459569e+02 1.54 1.909806244e+02 1.909806244e+02 1.56 1.771560816e+02 1.771560816e+02 1.58 1.642992107e+02 1.642992107e+02 1.60 1.523429427e+02 1.523429427e+02 1.62 1.412253566e+02 1.412253566e+02 1.64 1.308887238e+02 1.308887238e+02 1.66 1.212788506e+02 1.212788506e+02 1.68 1.123447893e+02 1.123447893e+02 1.70 1.040388660e+02 1.040388660e+02 1.72 9.631664859e+01 9.631664859e+01 1.74 8.913678225e+01 8.913678225e+01 1.76 8.246066871e+01 8.246066871e+01 1.78 7.625215002e+01 7.625215002e+01 1.80 7.047724477e+01 7.047724477e+01 1.82 6.510438913e+01 6.510438913e+01 1.84 6.010476077e+01 6.010476077e+01 1.86 5.545080632e+01 5.545080632e+01 1.88 5.111735950e+01 5.111735950e+01 1.90 4.708178699e+01 4.708178699e+01 1.92 4.332356909e+01 4.332356909e+01 1.94 3.982447119e+01 3.982447119e+01 1.96 3.656787310e+01 3.656787310e+01 1.98 3.353830910e+01 3.353830910e+01 2.00 3.072122505e+01 3.072122505e+01 2.02 2.810282084e+01 2.810282084e+01 2.04 2.566994192e+01 2.566994192e+01 2.06 2.340999657e+01 2.340999657e+01 2.08 2.131089573e+01 2.131089573e+01 2.10 1.936104790e+01 1.936104790e+01 2.12 1.754941799e+01 1.754941799e+01 2.14 1.586562805e+01 1.586562805e+01 2.16 1.430008135e+01 1.430008135e+01 2.18 1.284403285e+01 1.284403285e+01 2.20 1.148959362e+01 1.148959362e+01 2.22 1.022965365e+01 1.022965365e+01 2.24 9.057781544e+00 9.057781544e+00 2.26 7.968130456e+00 7.968130456e+00 2.28 6.955348358e+00 6.955348358e+00 2.30 6.014541067e+00 6.014541067e+00 2.32 5.141182458e+00 5.141182458e+00 2.34 4.331090703e+00 4.331090703e+00 2.36 3.580351870e+00 3.580351870e+00 2.38 2.885277283e+00 2.885277283e+00 2.40 2.242364442e+00 2.242364442e+00 2.42 1.648263669e+00 1.648263669e+00 2.44 1.099773630e+00 1.099773630e+00 2.46 5.938938119e-01 5.938938119e-01 2.48 1.276384319e-01 1.276384319e-01 2.50 -3.018378861e-01 -3.018378861e-01 2.52 -6.971770947e-01 -6.971770947e-01 2.54 -1.060800032e+00 -1.060800032e+00 2.56 -1.394916077e+00 -1.394916077e+00 2.58 -1.701553805e+00 -1.701553805e+00 2.60 -1.982408516e+00 -1.982408516e+00 2.62 -2.238937435e+00 -2.238937435e+00 2.64 -2.472319999e+00 -2.472319999e+00 2.66 -2.683657068e+00 -2.683657068e+00 2.68 -2.874037120e+00 -2.874037120e+00 2.70 -3.044539632e+00 -3.044539632e+00 2.72 -3.196135559e+00 -3.196135559e+00 2.74 -3.329638908e+00 -3.329638908e+00 2.76 -3.445879149e+00 -3.445879149e+00 2.78 -3.545702732e+00 -3.545702732e+00 2.80 -3.629966578e+00 -3.629966578e+00 2.82 -3.699513665e+00 -3.699513665e+00 2.84 -3.755175201e+00 -3.755175201e+00 2.86 -3.797766298e+00 -3.797766298e+00 2.88 -3.828088946e+00 -3.828088946e+00 2.90 -3.846938466e+00 -3.846938466e+00 2.92 -3.855111542e+00 -3.855111542e+00 2.94 -3.853413698e+00 -3.853413698e+00 2.96 -3.842664106e+00 -3.842664106e+00 2.98 -3.823695991e+00 -3.823695991e+00 3.00 -3.797351625e+00 -3.797351625e+00 3.02 -3.764471948e+00 -3.764471948e+00 3.04 -3.725878356e+00 -3.725878356e+00 3.06 -3.682371415e+00 -3.682371415e+00 3.08 -3.634690006e+00 -3.634690006e+00 3.10 -3.583515542e+00 -3.583515542e+00 3.12 -3.529455814e+00 -3.529455814e+00 3.14 -3.473051142e+00 -3.473051142e+00 3.16 -3.414758764e+00 -3.414758764e+00 3.18 -3.354968787e+00 -3.354968787e+00 3.20 -3.294008060e+00 -3.294008060e+00 3.22 -3.232149213e+00 -3.232149213e+00 3.24 -3.169621062e+00 -3.169621062e+00 3.26 -3.106619478e+00 -3.106619478e+00 3.28 -3.043317483e+00 -3.043317483e+00 3.30 -2.979873172e+00 -2.979873172e+00 3.32 -2.916434554e+00 -2.916434554e+00 3.34 -2.853141328e+00 -2.853141328e+00 3.36 -2.790124648e+00 -2.790124648e+00 3.38 -2.727506369e+00 -2.727506369e+00 3.40 -2.665397791e+00 -2.665397791e+00 3.42 -2.603906068e+00 -2.603906068e+00 3.44 -2.543127828e+00 -2.543127828e+00 3.46 -2.483157001e+00 -2.483157001e+00 3.48 -2.424084228e+00 -2.424084228e+00 3.50 -2.365996548e+00 -2.365996548e+00 3.52 -2.308975756e+00 -2.308975756e+00 3.54 -2.253139549e+00 -2.253139549e+00 3.56 -2.198537327e+00 -2.198537327e+00 3.58 -2.145152281e+00 -2.145152281e+00 3.60 -2.092976446e+00 -2.092976446e+00 3.62 -2.042005179e+00 -2.042005179e+00 3.64 -1.992232993e+00 -1.992232993e+00 3.66 -1.943649082e+00 -1.943649082e+00 3.68 -1.896188539e+00 -1.896188539e+00 3.70 -1.849742411e+00 -1.849742411e+00 3.72 -1.804228771e+00 -1.804228771e+00 3.74 -1.759589662e+00 -1.759589662e+00 3.76 -1.715785915e+00 -1.715785915e+00 3.78 -1.672793885e+00 -1.672793885e+00 3.80 -1.630603413e+00 -1.630603413e+00 3.82 -1.589216345e+00 -1.589216345e+00 3.84 -1.548644938e+00 -1.548644938e+00 3.86 -1.508909697e+00 -1.508909697e+00 3.88 -1.470036386e+00 -1.470036386e+00 3.90 -1.432052342e+00 -1.432052342e+00 3.92 -1.394980366e+00 -1.394980366e+00 3.94 -1.358843906e+00 -1.358843906e+00 3.96 -1.323650222e+00 -1.323650222e+00 3.98 -1.289398820e+00 -1.289398820e+00 4.00 -1.256078740e+00 -1.256078740e+00 4.02 -1.223669732e+00 -1.223669732e+00 4.04 -1.192144257e+00 -1.192144257e+00 4.06 -1.161469853e+00 -1.161469853e+00 4.08 -1.131611475e+00 -1.131611475e+00 4.10 -1.102529329e+00 -1.102529329e+00 4.12 -1.074197883e+00 -1.074197883e+00 4.14 -1.046579416e+00 -1.046579416e+00 4.16 -1.019643971e+00 -1.019643971e+00 4.18 -9.933644794e-01 -9.933644794e-01 4.20 -9.677167678e-01 -9.677167678e-01 4.22 -9.426793846e-01 -9.426793846e-01 4.24 -9.182333322e-01 -9.182333322e-01 4.26 -8.943617524e-01 -8.943617524e-01 4.28 -8.710496015e-01 -8.710496015e-01 4.30 -8.482833407e-01 -8.482833407e-01 4.32 -8.260506529e-01 -8.260506529e-01 4.34 -8.043401924e-01 -8.043401924e-01 4.36 -7.831413706e-01 -7.831413706e-01 4.38 -7.624441732e-01 -7.624441732e-01 4.40 -7.422390095e-01 -7.422390095e-01 4.42 -7.225165865e-01 -7.225165865e-01 4.44 -7.032678078e-01 -7.032678078e-01 4.46 -6.844836911e-01 -6.844836911e-01 4.48 -6.661553030e-01 -6.661553030e-01 4.50 -6.482737090e-01 -6.482737090e-01 4.52 -6.308299365e-01 -6.308299365e-01 4.54 -6.138149496e-01 -6.138149496e-01 4.56 -5.972196362e-01 -5.972196362e-01 4.58 -5.810348060e-01 -5.810348060e-01 4.60 -5.652511987e-01 -5.652511987e-01 4.62 -5.498595040e-01 -5.498595040e-01 4.64 -5.348503890e-01 -5.348503890e-01 4.66 -5.202145357e-01 -5.202145357e-01 4.68 -5.059426835e-01 -5.059426835e-01 4.70 -4.920256748e-01 -4.920256748e-01 4.72 -4.784545024e-01 -4.784545024e-01 4.74 -4.652203522e-01 -4.652203522e-01 4.76 -4.523146403e-01 -4.523146403e-01 4.78 -4.397290408e-01 -4.397290408e-01 4.80 -4.274520258e-01 -4.274520258e-01 4.82 -4.154833597e-01 -4.154833597e-01 4.84 -4.038113598e-01 -4.038113598e-01 4.86 -3.924287729e-01 -3.924287729e-01 4.88 -3.813285497e-01 -3.813285497e-01 4.90 -3.705038037e-01 -3.705038037e-01 4.92 -3.599477653e-01 -3.599477653e-01 4.94 -3.496537346e-01 -3.496537346e-01 4.96 -3.396150347e-01 -3.396150347e-01 4.98 -3.298249697e-01 -3.298249697e-01 5.00 -3.202767883e-01 -3.202767883e-01 5.02 -3.109636557e-01 -3.109636557e-01 5.04 -3.018786338e-01 -3.018786338e-01 5.06 -2.930146724e-01 -2.930146724e-01 5.08 -2.843646107e-01 -2.843646107e-01 5.10 -2.759211912e-01 -2.759211912e-01 5.12 -2.676770868e-01 -2.676770868e-01 5.14 -2.596249421e-01 -2.596249421e-01 5.16 -2.517574302e-01 -2.517574302e-01 5.18 -2.440673267e-01 -2.440673267e-01 5.20 -2.365476024e-01 -2.365476024e-01 5.22 -2.291915338e-01 -2.291915338e-01 5.24 -2.219928328e-01 -2.219928328e-01 5.26 -2.149457923e-01 -2.149457923e-01 5.28 -2.080454437e-01 -2.080454437e-01 5.30 -2.012877202e-01 -2.012877202e-01 5.32 -1.946696143e-01 -1.946696143e-01 5.34 -1.881893174e-01 -1.881893174e-01 5.36 -1.818463254e-01 -1.818463254e-01 5.38 -1.756414915e-01 -1.756414915e-01 5.40 -1.695770109e-01 -1.695770109e-01 5.42 -1.636563227e-01 -1.636563227e-01 5.44 -1.578839202e-01 -1.578839202e-01 5.46 -1.522650727e-01 -1.522650727e-01 5.48 -1.468054687e-01 -1.468054687e-01 5.50 -1.415108054e-01 -1.415108054e-01 5.52 -1.363863536e-01 -1.363863536e-01 5.54 -1.314365384e-01 -1.314365384e-01 5.56 -1.266645700e-01 -1.266645700e-01 5.58 -1.220721584e-01 -1.220721584e-01 5.60 -1.176593315e-01 -1.176593315e-01 5.62 -1.134243674e-01 -1.134243674e-01 5.64 -1.093638347e-01 -1.093638347e-01 5.66 -1.054727258e-01 -1.054727258e-01 5.68 -1.017446615e-01 -1.017446615e-01 5.70 -9.817213824e-02 -9.817213824e-02 5.72 -9.474679527e-02 -9.474679527e-02 5.74 -9.145967657e-02 -9.145967657e-02 5.76 -8.830145613e-02 -8.830145613e-02 5.78 -8.526267659e-02 -8.526267659e-02 5.80 -8.233392445e-02 -8.233392445e-02 5.82 -7.950595410e-02 -7.950595410e-02 5.84 -7.676978934e-02 -7.676978934e-02 5.86 -7.411676827e-02 -7.411676827e-02 5.88 -7.153862334e-02 -7.153862334e-02 5.90 -6.902754310e-02 -6.902754310e-02 5.92 -6.657614771e-02 -6.657614771e-02 5.94 -6.417750303e-02 -6.417750303e-02 5.96 -6.182513383e-02 -6.182513383e-02 5.98 -5.951304048e-02 -5.951304048e-02 6.00 -5.723572217e-02 -5.723572217e-02