# 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 = Au2Mg # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 4.873451376e+02 1.16 4.502214839e+02 1.18 4.160501864e+02 1.20 3.845749077e+02 1.22 3.555619570e+02 1.24 3.287975098e+02 1.26 3.040875510e+02 1.28 2.812575778e+02 1.30 2.601508352e+02 1.32 2.406258416e+02 1.34 2.225542786e+02 1.36 2.058195799e+02 1.38 1.903158994e+02 1.40 1.759468809e+02 1.42 1.626243325e+02 1.44 1.502672158e+02 1.46 1.388008468e+02 1.48 1.281562131e+02 1.50 1.182697226e+02 1.52 1.090833128e+02 1.54 1.005442967e+02 1.56 9.262560938e+01 1.58 8.530552063e+01 1.60 7.853767720e+01 1.62 7.227900613e+01 1.64 6.648955737e+01 1.66 6.113274820e+01 1.68 5.617499874e+01 1.70 5.158564795e+01 1.72 4.733687191e+01 1.74 4.340349195e+01 1.76 3.976264711e+01 1.78 3.639338656e+01 1.80 3.327628545e+01 1.82 3.039318138e+01 1.84 2.772707427e+01 1.86 2.526213415e+01 1.88 2.298371438e+01 1.90 2.087830939e+01 1.92 1.893344306e+01 1.94 1.713751135e+01 1.96 1.547963084e+01 1.98 1.394954208e+01 2.00 1.253759723e+01 2.02 1.123480864e+01 2.04 1.003290287e+01 2.06 8.924330447e+00 2.08 7.902219072e+00 2.10 6.960291108e+00 2.12 6.092774304e+00 2.14 5.294325822e+00 2.16 4.559976069e+00 2.18 3.885090260e+00 2.20 3.265345548e+00 2.22 2.696715958e+00 2.24 2.175463418e+00 2.26 1.698129947e+00 2.28 1.261527796e+00 2.30 8.627252524e-01 2.32 4.990268908e-01 2.34 1.679511362e-01 2.36 -1.327946853e-01 2.38 -4.053381319e-01 2.40 -6.516638472e-01 2.42 -8.736576465e-01 2.44 -1.073307808e+00 2.46 -1.252093015e+00 2.48 -1.411359154e+00 2.50 -1.552456638e+00 2.52 -1.676731121e+00 2.54 -1.785510575e+00 2.56 -1.880089761e+00 2.58 -1.961704047e+00 2.60 -2.031503538e+00 2.62 -2.090562634e+00 2.64 -2.139870986e+00 2.66 -2.180322541e+00 2.68 -2.212713335e+00 2.70 -2.237745594e+00 2.72 -2.256038208e+00 2.74 -2.268140387e+00 2.76 -2.274545317e+00 2.78 -2.275701453e+00 2.80 -2.272021648e+00 2.82 -2.263887909e+00 2.84 -2.251656218e+00 2.86 -2.235659567e+00 2.88 -2.216211210e+00 2.90 -2.193608525e+00 2.92 -2.168137803e+00 2.94 -2.140079956e+00 2.96 -2.109716756e+00 2.98 -2.077336688e+00 3.00 -2.043239102e+00 3.02 -2.007735132e+00 3.04 -1.971144079e+00 3.06 -1.933784910e+00 3.08 -1.895963767e+00 3.10 -1.857959882e+00 3.12 -1.820012654e+00 3.14 -1.782319662e+00 3.16 -1.745042260e+00 3.18 -1.708256088e+00 3.20 -1.671996671e+00 3.22 -1.636274746e+00 3.24 -1.601085699e+00 3.26 -1.566417727e+00 3.28 -1.532257833e+00 3.30 -1.498595382e+00 3.32 -1.465414437e+00 3.34 -1.432675045e+00 3.36 -1.400342168e+00 3.38 -1.368390674e+00 3.40 -1.336803202e+00 3.42 -1.305568853e+00 3.44 -1.274681826e+00 3.46 -1.244140904e+00 3.48 -1.213948744e+00 3.50 -1.184111232e+00 3.52 -1.154636776e+00 3.54 -1.125535562e+00 3.56 -1.096818827e+00 3.58 -1.068498172e+00 3.60 -1.040584973e+00 3.62 -1.013089892e+00 3.64 -9.860225174e-01 3.66 -9.593911094e-01 3.68 -9.332024563e-01 3.70 -9.074618316e-01 3.72 -8.821730364e-01 3.74 -8.573385157e-01 3.76 -8.329595283e-01 3.78 -8.090363466e-01 3.80 -7.855684523e-01 3.82 -7.625546924e-01 3.84 -7.399933581e-01 3.86 -7.178821597e-01 3.88 -6.962180949e-01 3.90 -6.749972289e-01 3.92 -6.542144368e-01 3.94 -6.338631745e-01 3.96 -6.139353312e-01 3.98 -5.944212246e-01 4.00 -5.753097465e-01 4.02 -5.565886587e-01 4.04 -5.382450176e-01 4.06 -5.202656991e-01 4.08 -5.026379993e-01 4.10 -4.853499041e-01 4.12 -4.683924105e-01 4.14 -4.517576602e-01 4.16 -4.354414523e-01 4.18 -4.194433821e-01 4.20 -4.037673355e-01 4.22 -3.884217733e-01 4.24 -3.734197229e-01 4.26 -3.587784069e-01 4.28 -3.445184656e-01 4.30 -3.306627806e-01 4.32 -3.172349618e-01 4.34 -3.042576247e-01 4.36 -2.917506256e-01 4.38 -2.797294466e-01 4.40 -2.682039062e-01 4.42 -2.571773260e-01 4.44 -2.466462157e-01 4.46 -2.366004639e-01 4.48 -2.270239610e-01 4.50 -2.178955329e-01 4.52 -2.091900541e-01 4.54 -2.008796112e-01 4.56 -1.929346149e-01 4.58 -1.853247911e-01 4.60 -1.780200134e-01 4.62 -1.709909681e-01 4.64 -1.642096643e-01 4.66 -1.576498136e-01 4.68 -1.512871090e-01 4.70 -1.450994349e-01 4.72 -1.390670351e-01 4.74 -1.331726593e-01 4.76 -1.274017025e-01 4.78 -1.217423436e-01 4.80 -1.161854210e-01 4.82 -1.107256290e-01 4.84 -1.053599143e-01 4.86 -1.000886918e-01 4.88 -9.491548156e-02 4.90 -8.984675163e-02 4.92 -8.489163237e-02 4.94 -8.006149167e-02 4.96 -7.536937351e-02 4.98 -7.082931838e-02 5.00 -6.645560222e-02 5.02 -6.226194377e-02 5.04 -5.826073899e-02 5.06 -5.446238235e-02 5.08 -5.087472727e-02 5.10 -4.750272924e-02 5.12 -4.434826438e-02 5.14 -4.141015025e-02 5.16 -3.868435133e-02 5.18 -3.616430568e-02 5.20 -3.384125828e-02 5.22 -3.170382614e-02 5.24 -2.974100248e-02 5.26 -2.794125672e-02 5.28 -2.629243220e-02 5.30 -2.478220470e-02 5.32 -2.339844075e-02 5.34 -2.212946226e-02 5.36 -2.096419180e-02 5.38 -1.989233145e-02 5.40 -1.890442663e-02 5.42 -1.799185649e-02 5.44 -1.714682222e-02 5.46 -1.636231356e-02 5.48 -1.563206122e-02 5.50 -1.495048083e-02 5.52 -1.431261304e-02 5.54 -1.371406287e-02 5.56 -1.315094047e-02 5.58 -1.261980494e-02 5.60 -1.211761199e-02 5.62 -1.164166590e-02 5.64 -1.118957606e-02 5.66 -1.075921790e-02 5.68 -1.034869817e-02 5.70 -9.956324195e-03 5.72 -9.580576909e-03 5.74 -9.220087212e-03 5.76 -8.873615470e-03 5.78 -8.540033778e-03 5.80 -8.218310740e-03 5.82 -7.907498530e-03 5.84 -7.606722032e-03 5.86 -7.315169874e-03 5.88 -7.032087234e-03 5.90 -6.756770315e-03 5.92 -6.488562383e-03 5.94 -6.226851343e-03 5.96 -5.971068776e-03 5.98 -5.720690413e-03 6.00 -5.475237975e-03