# 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 = Co2Mg # 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 2.804365526e+02 1.16 2.578621030e+02 1.18 2.371655533e+02 1.20 2.181760156e+02 1.22 2.007402267e+02 1.24 1.847209084e+02 1.26 1.699955858e+02 1.28 1.564541896e+02 1.30 1.439964123e+02 1.32 1.325302634e+02 1.34 1.219718040e+02 1.36 1.122450122e+02 1.38 1.032811436e+02 1.40 9.501786019e+01 1.42 8.739825940e+01 1.44 8.036982590e+01 1.46 7.388539208e+01 1.48 6.790209862e+01 1.50 6.237910931e+01 1.52 5.727983562e+01 1.54 5.257133453e+01 1.56 4.822351690e+01 1.58 4.420881295e+01 1.60 4.050190477e+01 1.62 3.707941015e+01 1.64 3.391957769e+01 1.66 3.100210184e+01 1.68 2.830811647e+01 1.70 2.582027591e+01 1.72 2.352273526e+01 1.74 2.140096908e+01 1.76 1.944156399e+01 1.78 1.763213878e+01 1.80 1.596137662e+01 1.82 1.441903614e+01 1.84 1.299584249e+01 1.86 1.168330056e+01 1.88 1.047349857e+01 1.90 9.358956148e+00 1.92 8.332532467e+00 1.94 7.387414185e+00 1.96 6.517173727e+00 1.98 5.715861281e+00 2.00 4.978072749e+00 2.02 4.298959383e+00 2.04 3.674178933e+00 2.06 3.099808120e+00 2.08 2.572247044e+00 2.10 2.088140971e+00 2.12 1.644333194e+00 2.14 1.237845441e+00 2.16 8.658405432e-01 2.18 5.256024874e-01 2.20 2.148931545e-01 2.22 -6.834213176e-02 2.24 -3.260142433e-01 2.26 -5.599010268e-01 2.28 -7.716616609e-01 2.30 -9.628422810e-01 2.32 -1.134742653e+00 2.34 -1.288474070e+00 2.36 -1.425133521e+00 2.38 -1.545801430e+00 2.40 -1.651535775e+00 2.42 -1.743371024e+00 2.44 -1.822320129e+00 2.46 -1.889379001e+00 2.48 -1.945527641e+00 2.50 -1.991725333e+00 2.52 -2.028900034e+00 2.54 -2.057936049e+00 2.56 -2.079664645e+00 2.58 -2.094858846e+00 2.60 -2.104229704e+00 2.62 -2.108420855e+00 2.64 -2.108003629e+00 2.66 -2.103472184e+00 2.68 -2.095248528e+00 2.70 -2.083692489e+00 2.72 -2.069115507e+00 2.74 -2.051793750e+00 2.76 -2.031977878e+00 2.78 -2.009898727e+00 2.80 -1.985770709e+00 2.82 -1.959791713e+00 2.84 -1.932144395e+00 2.86 -1.902996833e+00 2.88 -1.872504393e+00 2.90 -1.840814962e+00 2.92 -1.808094554e+00 2.94 -1.774469211e+00 2.96 -1.740065141e+00 2.98 -1.705028886e+00 3.00 -1.669529942e+00 3.02 -1.633758718e+00 3.04 -1.597918358e+00 3.06 -1.562210296e+00 3.08 -1.526797078e+00 3.10 -1.491782980e+00 3.12 -1.457237752e+00 3.14 -1.423197145e+00 3.16 -1.389664900e+00 3.18 -1.356623103e+00 3.20 -1.324042270e+00 3.22 -1.291890887e+00 3.24 -1.260142550e+00 3.26 -1.228780242e+00 3.28 -1.197797926e+00 3.30 -1.167199961e+00 3.32 -1.136998988e+00 3.34 -1.107213024e+00 3.36 -1.077862427e+00 3.38 -1.048967332e+00 3.40 -1.020545801e+00 3.42 -9.926131721e-01 3.44 -9.651813886e-01 3.46 -9.382595395e-01 3.48 -9.118541822e-01 3.50 -8.859697561e-01 3.52 -8.606089048e-01 3.54 -8.357726828e-01 3.56 -8.114606680e-01 3.58 -7.876710205e-01 3.60 -7.644005296e-01 3.62 -7.416446853e-01 3.64 -7.193977980e-01 3.66 -6.976531811e-01 3.68 -6.764033982e-01 3.70 -6.556405645e-01 3.72 -6.353566849e-01 3.74 -6.155439979e-01 3.76 -5.961952929e-01 3.78 -5.773041590e-01 3.80 -5.588651278e-01 3.82 -5.408736750e-01 3.84 -5.233260571e-01 3.86 -5.062189817e-01 3.88 -4.895491378e-01 3.90 -4.733126403e-01 3.92 -4.575044694e-01 3.94 -4.421179940e-01 3.96 -4.271446518e-01 3.98 -4.125738342e-01 4.00 -3.983929856e-01 4.02 -3.845878937e-01 4.04 -3.711431357e-01 4.06 -3.580426365e-01 4.08 -3.452703107e-01 4.10 -3.328104058e-01 4.12 -3.206497611e-01 4.14 -3.087761957e-01 4.16 -2.971809706e-01 4.18 -2.858590481e-01 4.20 -2.748096555e-01 4.22 -2.640365938e-01 4.24 -2.535481795e-01 4.26 -2.433567260e-01 4.28 -2.334775298e-01 4.30 -2.239274082e-01 4.32 -2.147229299e-01 4.34 -2.058785613e-01 4.36 -1.974049875e-01 4.38 -1.893078400e-01 4.40 -1.815869913e-01 4.42 -1.742364605e-01 4.44 -1.672448661e-01 4.46 -1.605962843e-01 4.48 -1.542713323e-01 4.50 -1.482483063e-01 4.52 -1.425042382e-01 4.54 -1.370157881e-01 4.56 -1.317599344e-01 4.58 -1.267144643e-01 4.60 -1.218582911e-01 4.62 -1.171716361e-01 4.64 -1.126361194e-01 4.66 -1.082347980e-01 4.68 -1.039521865e-01 4.70 -9.977428664e-02 4.72 -9.568864631e-02 4.74 -9.168445870e-02 4.76 -8.775270671e-02 4.78 -8.388634725e-02 4.80 -8.008025634e-02 4.82 -7.633255032e-02 4.84 -7.264302762e-02 4.86 -6.901450018e-02 4.88 -6.545246836e-02 4.90 -6.196496378e-02 4.92 -5.856220954e-02 4.94 -5.525609056e-02 4.96 -5.205945873e-02 4.98 -4.898530253e-02 5.00 -4.604587712e-02 5.02 -4.325188836e-02 5.04 -4.061179666e-02 5.06 -3.813131970e-02 5.08 -3.581250830e-02 5.10 -3.365462419e-02 5.12 -3.165538148e-02 5.14 -2.980973825e-02 5.16 -2.811045207e-02 5.18 -2.654868824e-02 5.20 -2.511460216e-02 5.22 -2.379785527e-02 5.24 -2.258804185e-02 5.26 -2.147501934e-02 5.28 -2.044914600e-02 5.30 -1.950143639e-02 5.32 -1.862364904e-02 5.34 -1.780832039e-02 5.36 -1.704873201e-02 5.38 -1.633892609e-02 5.40 -1.567365602e-02 5.42 -1.504830777e-02 5.44 -1.445883692e-02 5.46 -1.390170563e-02 5.48 -1.337382196e-02 5.50 -1.287248336e-02 5.52 -1.239532500e-02 5.54 -1.194027346e-02 5.56 -1.150550564e-02 5.58 -1.108941270e-02 5.60 -1.069056870e-02 5.62 -1.030770341e-02 5.64 -9.939678927e-03 5.66 -9.585469639e-03 5.68 -9.244145052e-03 5.70 -8.914855198e-03 5.72 -8.596818218e-03 5.74 -8.289309864e-03 5.76 -7.991654659e-03 5.78 -7.703218508e-03 5.80 -7.423402604e-03 5.82 -7.151638482e-03 5.84 -6.887384129e-03 5.86 -6.630121092e-03 5.88 -6.379352518e-03 5.90 -6.134602127e-03 5.92 -5.895414102e-03 5.94 -5.661353907e-03 5.96 -5.432010057e-03 5.98 -5.206996831e-03 6.00 -4.985957941e-03