# 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 = AgMo2W # 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 3.601136085e+02 3.601136085e+02 1.30 3.330444813e+02 3.330444813e+02 1.32 3.080529836e+02 3.080529836e+02 1.34 2.849610955e+02 2.849610955e+02 1.36 2.636026138e+02 2.636026138e+02 1.38 2.438242704e+02 2.438242704e+02 1.40 2.254876889e+02 2.254876889e+02 1.42 2.084705709e+02 2.084705709e+02 1.44 1.926661305e+02 1.926661305e+02 1.46 1.779810169e+02 1.779810169e+02 1.48 1.643328213e+02 1.643328213e+02 1.50 1.516480937e+02 1.516480937e+02 1.52 1.398610383e+02 1.398610383e+02 1.54 1.289125510e+02 1.289125510e+02 1.56 1.187492506e+02 1.187492506e+02 1.58 1.093223498e+02 1.093223498e+02 1.60 1.005864040e+02 1.005864040e+02 1.62 9.249810406e+01 9.249810406e+01 1.64 8.501533304e+01 8.501533304e+01 1.66 7.809664988e+01 7.809664988e+01 1.68 7.170123300e+01 7.170123300e+01 1.70 6.578917081e+01 6.578917081e+01 1.72 6.032190316e+01 6.032190316e+01 1.74 5.526264201e+01 5.526264201e+01 1.76 5.057670855e+01 5.057670855e+01 1.78 4.623182813e+01 4.623182813e+01 1.80 4.219844377e+01 4.219844377e+01 1.82 3.845033208e+01 3.845033208e+01 1.84 3.496490164e+01 3.496490164e+01 1.86 3.172598342e+01 3.172598342e+01 1.88 2.871955633e+01 2.871955633e+01 1.90 2.593075824e+01 2.593075824e+01 1.92 2.334606638e+01 2.334606638e+01 1.94 2.095317845e+01 2.095317845e+01 1.96 1.874051834e+01 1.874051834e+01 1.98 1.669692711e+01 1.669692711e+01 2.00 1.481150914e+01 1.481150914e+01 2.02 1.307357118e+01 1.307357118e+01 2.04 1.147260257e+01 1.147260257e+01 2.06 9.998275839e+00 9.998275839e+00 2.08 8.640474904e+00 8.640474904e+00 2.10 7.389369903e+00 7.389369903e+00 2.12 6.235547669e+00 6.235547669e+00 2.14 5.170183094e+00 5.170183094e+00 2.16 4.185213521e+00 4.185213521e+00 2.18 3.273470188e+00 3.273470188e+00 2.20 2.428732346e+00 2.428732346e+00 2.22 1.645694140e+00 1.645694140e+00 2.24 9.198593725e-01 9.198593725e-01 2.26 2.473945856e-01 2.473945856e-01 2.28 -3.750269358e-01 -3.750269358e-01 2.30 -9.503652807e-01 -9.503652807e-01 2.32 -1.481324789e+00 -1.481324789e+00 2.34 -1.970432570e+00 -1.970432570e+00 2.36 -2.420088135e+00 -2.420088135e+00 2.38 -2.832590480e+00 -2.832590480e+00 2.40 -3.210149270e+00 -3.210149270e+00 2.42 -3.554885909e+00 -3.554885909e+00 2.44 -3.868828946e+00 -3.868828946e+00 2.46 -4.153856876e+00 -4.153856876e+00 2.48 -4.411776782e+00 -4.411776782e+00 2.50 -4.644363690e+00 -4.644363690e+00 2.52 -4.853263556e+00 -4.853263556e+00 2.54 -5.039993638e+00 -5.039993638e+00 2.56 -5.205946750e+00 -5.205946750e+00 2.58 -5.352399279e+00 -5.352399279e+00 2.60 -5.480521908e+00 -5.480521908e+00 2.62 -5.591390253e+00 -5.591390253e+00 2.64 -5.685812956e+00 -5.685812956e+00 2.66 -5.764310653e+00 -5.764310653e+00 2.68 -5.827804738e+00 -5.827804738e+00 2.70 -5.877195912e+00 -5.877195912e+00 2.72 -5.913341986e+00 -5.913341986e+00 2.74 -5.937067970e+00 -5.937067970e+00 2.76 -5.949174931e+00 -5.949174931e+00 2.78 -5.950446435e+00 -5.950446435e+00 2.80 -5.941535363e+00 -5.941535363e+00 2.82 -5.922620147e+00 -5.922620147e+00 2.84 -5.893823709e+00 -5.893823709e+00 2.86 -5.855342964e+00 -5.855342964e+00 2.88 -5.807444657e+00 -5.807444657e+00 2.90 -5.750464582e+00 -5.750464582e+00 2.92 -5.684808066e+00 -5.684808066e+00 2.94 -5.610948963e+00 -5.610948963e+00 2.96 -5.529424484e+00 -5.529424484e+00 2.98 -5.440823929e+00 -5.440823929e+00 3.00 -5.345770689e+00 -5.345770689e+00 3.02 -5.244915570e+00 -5.244915570e+00 3.04 -5.139035876e+00 -5.139035876e+00 3.06 -5.028503804e+00 -5.028503804e+00 3.08 -4.913581015e+00 -4.913581015e+00 3.10 -4.794513946e+00 -4.794513946e+00 3.12 -4.671514549e+00 -4.671514549e+00 3.14 -4.544752754e+00 -4.544752754e+00 3.16 -4.414371153e+00 -4.414371153e+00 3.18 -4.280469172e+00 -4.280469172e+00 3.20 -4.143106988e+00 -4.143106988e+00 3.22 -4.002325729e+00 -4.002325729e+00 3.24 -3.858171536e+00 -3.858171536e+00 3.26 -3.710721815e+00 -3.710721815e+00 3.28 -3.560112114e+00 -3.560112114e+00 3.30 -3.406562048e+00 -3.406562048e+00 3.32 -3.250398509e+00 -3.250398509e+00 3.34 -3.092074172e+00 -3.092074172e+00 3.36 -2.932179131e+00 -2.932179131e+00 3.38 -2.771443494e+00 -2.771443494e+00 3.40 -2.610729214e+00 -2.610729214e+00 3.42 -2.451010219e+00 -2.451010219e+00 3.44 -2.293341166e+00 -2.293341166e+00 3.46 -2.138816583e+00 -2.138816583e+00 3.48 -1.988523632e+00 -1.988523632e+00 3.50 -1.843492781e+00 -1.843492781e+00 3.52 -1.704651167e+00 -1.704651167e+00 3.54 -1.572783155e+00 -1.572783155e+00 3.56 -1.448501585e+00 -1.448501585e+00 3.58 -1.332231723e+00 -1.332231723e+00 3.60 -1.224208251e+00 -1.224208251e+00 3.62 -1.124484079e+00 -1.124484079e+00 3.64 -1.032948643e+00 -1.032948643e+00 3.66 -9.493527223e-01 -9.493527223e-01 3.68 -8.733366999e-01 -8.733366999e-01 3.70 -8.044595147e-01 -8.044595147e-01 3.72 -7.422261095e-01 -7.422261095e-01 3.74 -6.861118608e-01 -6.861118608e-01 3.76 -6.355831302e-01 -6.355831302e-01 3.78 -5.901136312e-01 -5.901136312e-01 3.80 -5.491967227e-01 -5.491967227e-01 3.82 -5.123540152e-01 -5.123540152e-01 3.84 -4.791408262e-01 -4.791408262e-01 3.86 -4.491490741e-01 -4.491490741e-01 3.88 -4.220081873e-01 -4.220081873e-01 3.90 -3.973845490e-01 -3.973845490e-01 3.92 -3.749799211e-01 -3.749799211e-01 3.94 -3.545292153e-01 -3.545292153e-01 3.96 -3.357978851e-01 -3.357978851e-01 3.98 -3.185791671e-01 -3.185791671e-01 4.00 -3.026913134e-01 -3.026913134e-01 4.02 -2.879749356e-01 -2.879749356e-01 4.04 -2.742905251e-01 -2.742905251e-01 4.06 -2.615160870e-01 -2.615160870e-01 4.08 -2.495451524e-01 -2.495451524e-01 4.10 -2.382855063e-01 -2.382855063e-01 4.12 -2.276571519e-01 -2.276571519e-01 4.14 -2.175910368e-01 -2.175910368e-01 4.16 -2.080280086e-01 -2.080280086e-01 4.18 -1.989179163e-01 -1.989179163e-01 4.20 -1.902188298e-01 -1.902188298e-01 4.22 -1.818963328e-01 -1.818963328e-01 4.24 -1.739228400e-01 -1.739228400e-01 4.26 -1.662768886e-01 -1.662768886e-01 4.28 -1.589423630e-01 -1.589423630e-01 4.30 -1.519076283e-01 -1.519076283e-01 4.32 -1.451645668e-01 -1.451645668e-01 4.34 -1.387075438e-01 -1.387075438e-01 4.36 -1.325323493e-01 -1.325323493e-01 4.38 -1.266351846e-01 -1.266351846e-01 4.40 -1.210117648e-01 -1.210117648e-01 4.42 -1.156566067e-01 -1.156566067e-01 4.44 -1.105625422e-01 -1.105625422e-01 4.46 -1.057204728e-01 -1.057204728e-01 4.48 -1.011191735e-01 -1.011191735e-01 4.50 -9.674587958e-02 -9.674587958e-02 4.52 -9.258647583e-02 -9.258647583e-02 4.54 -8.862571930e-02 -8.862571930e-02 4.56 -8.484767830e-02 -8.484767830e-02 4.58 -8.123615012e-02 -8.123615012e-02 4.60 -7.777503032e-02 -7.777503032e-02 4.62 -7.444862056e-02 -7.444862056e-02 4.64 -7.124187378e-02 -7.124187378e-02 4.66 -6.814058329e-02 -6.814058329e-02 4.68 -6.513152754e-02 -6.513152754e-02 4.70 -6.220258379e-02 -6.220258379e-02 4.72 -5.934282376e-02 -5.934282376e-02 4.74 -5.654260213e-02 -5.654260213e-02 4.76 -5.379364574e-02 -5.379364574e-02 4.78 -5.108914692e-02 -5.108914692e-02 4.80 -4.842386093e-02 -4.842386093e-02 4.82 -4.579420763e-02 -4.579420763e-02 4.84 -4.319835367e-02 -4.319835367e-02 4.86 -4.063627959e-02 -4.063627959e-02 4.88 -3.810980476e-02 -3.810980476e-02 4.90 -3.562255731e-02 -3.562255731e-02 4.92 -3.317987332e-02 -3.317987332e-02 4.94 -3.078860993e-02 -3.078860993e-02 4.96 -2.845686971e-02 -2.845686971e-02 4.98 -2.619364708e-02 -2.619364708e-02 5.00 -2.400840131e-02 -2.400840131e-02 5.02 -2.191058434e-02 -2.191058434e-02 5.04 -1.990915637e-02 -1.990915637e-02 5.06 -1.801212595e-02 -1.801212595e-02 5.08 -1.622602914e-02 -1.622602914e-02 5.10 -1.455564729e-02 -1.455564729e-02 5.12 -1.300429659e-02 -1.300429659e-02 5.14 -1.157332864e-02 -1.157332864e-02 5.16 -1.026215477e-02 -1.026215477e-02 5.18 -9.068394204e-03 -9.068394204e-03 5.20 -7.988100182e-03 -7.988100182e-03 5.22 -7.016036630e-03 -7.016036630e-03 5.24 -6.145978294e-03 -6.145978294e-03 5.26 -5.371010424e-03 -5.371010424e-03 5.28 -4.683809168e-03 -4.683809168e-03 5.30 -4.076889610e-03 -4.076889610e-03 5.32 -3.542814016e-03 -3.542814016e-03 5.34 -3.074357628e-03 -3.074357628e-03 5.36 -2.664633076e-03 -2.664633076e-03 5.38 -2.307177018e-03 -2.307177018e-03 5.40 -1.996004063e-03 -1.996004063e-03 5.42 -1.725633695e-03 -1.725633695e-03 5.44 -1.491095873e-03 -1.491095873e-03 5.46 -1.287920575e-03 -1.287920575e-03 5.48 -1.112115875e-03 -1.112115875e-03 5.50 -9.601384154e-04 -9.601384154e-04 5.52 -8.288593617e-04 -8.288593617e-04 5.54 -7.155282207e-04 -7.155282207e-04 5.56 -6.177363124e-04 -6.177363124e-04 5.58 -5.333811541e-04 -5.333811541e-04 5.60 -4.606326154e-04 -4.606326154e-04 5.62 -3.979013714e-04 -3.979013714e-04 5.64 -3.438099440e-04 -3.438099440e-04 5.66 -2.971664363e-04 -2.971664363e-04 5.68 -2.569409450e-04 -2.569409450e-04 5.70 -2.222445455e-04 -2.222445455e-04 5.72 -1.923106936e-04 -1.923106936e-04 5.74 -1.664788559e-04 -1.664788559e-04 5.76 -1.441801685e-04 -1.441801685e-04 5.78 -1.249249195e-04 -1.249249195e-04 5.80 -1.082916598e-04 -1.082916598e-04 5.82 -9.391775472e-05 -9.391775472e-05 5.84 -8.149120421e-05 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