# 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 = NiPd2 # 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 2.844543160e+02 1.16 2.618609696e+02 1.18 2.410832871e+02 1.20 2.219571897e+02 1.22 2.043351021e+02 1.24 1.880839729e+02 1.26 1.730839851e+02 1.28 1.592281758e+02 1.30 1.464219256e+02 1.32 1.345817812e+02 1.34 1.236329701e+02 1.36 1.135062472e+02 1.38 1.041361188e+02 1.40 9.546089380e+01 1.42 8.742337352e+01 1.44 7.997153084e+01 1.46 7.305898025e+01 1.48 6.664479675e+01 1.50 6.069297675e+01 1.52 5.520720147e+01 1.54 5.017307982e+01 1.56 4.555242446e+01 1.58 4.130927753e+01 1.60 3.741036235e+01 1.62 3.382559682e+01 1.64 3.052840962e+01 1.66 2.749561826e+01 1.68 2.470686398e+01 1.70 2.214386156e+01 1.72 1.978976757e+01 1.74 1.762883638e+01 1.76 1.564634671e+01 1.78 1.382864643e+01 1.80 1.216316044e+01 1.82 1.063830406e+01 1.84 9.243330357e+00 1.86 7.968165012e+00 1.88 6.803281810e+00 1.90 5.739662460e+00 1.92 4.768848320e+00 1.94 3.883038059e+00 1.96 3.075160663e+00 1.98 2.338877078e+00 2.00 1.668509613e+00 2.02 1.058930570e+00 2.04 5.054486421e-01 2.06 3.721411275e-03 2.08 -4.502941180e-01 2.10 -8.603563560e-01 2.12 -1.229933542e+00 2.14 -1.562195474e+00 2.16 -1.860015694e+00 2.18 -2.125988131e+00 2.20 -2.362454722e+00 2.22 -2.571538558e+00 2.24 -2.755179602e+00 2.26 -2.915173341e+00 2.28 -3.053213864e+00 2.30 -3.170939913e+00 2.32 -3.269977234e+00 2.34 -3.351963101e+00 2.36 -3.419028338e+00 2.38 -3.473560740e+00 2.40 -3.516451554e+00 2.42 -3.548585958e+00 2.44 -3.570855950e+00 2.46 -3.584126791e+00 2.48 -3.589161223e+00 2.50 -3.586514033e+00 2.52 -3.576809448e+00 2.54 -3.560687189e+00 2.56 -3.538714666e+00 2.58 -3.511386700e+00 2.60 -3.479130827e+00 2.62 -3.442318537e+00 2.64 -3.401280798e+00 2.66 -3.356325007e+00 2.68 -3.307750710e+00 2.70 -3.255862002e+00 2.72 -3.200974926e+00 2.74 -3.143418813e+00 2.76 -3.083531707e+00 2.78 -3.021651924e+00 2.80 -2.958109600e+00 2.82 -2.893222368e+00 2.84 -2.827297579e+00 2.86 -2.760640165e+00 2.88 -2.693562078e+00 2.90 -2.626387863e+00 2.92 -2.559451915e+00 2.94 -2.493086088e+00 2.96 -2.427600124e+00 2.98 -2.363260354e+00 3.00 -2.300272763e+00 3.02 -2.238774823e+00 3.04 -2.178837244e+00 3.06 -2.120473800e+00 3.08 -2.063655621e+00 3.10 -2.008326286e+00 3.12 -1.954415033e+00 3.14 -1.901846752e+00 3.16 -1.850548591e+00 3.18 -1.800453675e+00 3.20 -1.751502744e+00 3.22 -1.703644481e+00 3.24 -1.656835147e+00 3.26 -1.611037958e+00 3.28 -1.566222402e+00 3.30 -1.522363595e+00 3.32 -1.479441654e+00 3.34 -1.437441030e+00 3.36 -1.396349757e+00 3.38 -1.356158592e+00 3.40 -1.316860068e+00 3.42 -1.278447524e+00 3.44 -1.240914197e+00 3.46 -1.204252452e+00 3.48 -1.168453231e+00 3.50 -1.133505744e+00 3.52 -1.099397399e+00 3.54 -1.066113947e+00 3.56 -1.033639754e+00 3.58 -1.001958134e+00 3.60 -9.710516645e-01 3.62 -9.409024210e-01 3.64 -9.114920916e-01 3.66 -8.828019760e-01 3.68 -8.548128847e-01 3.70 -8.275049788e-01 3.72 -8.008576004e-01 3.74 -7.748491353e-01 3.76 -7.494569450e-01 3.78 -7.246573889e-01 3.80 -7.004259446e-01 3.82 -6.767374281e-01 3.84 -6.535663098e-01 3.86 -6.308871237e-01 3.88 -6.086749700e-01 3.90 -5.869061179e-01 3.92 -5.655587097e-01 3.94 -5.446135682e-01 3.96 -5.240550826e-01 3.98 -5.038721372e-01 4.00 -4.840590001e-01 4.02 -4.646160651e-01 4.04 -4.455503071e-01 4.06 -4.268753007e-01 4.08 -4.086106710e-01 4.10 -3.907808970e-01 4.12 -3.734134777e-01 4.14 -3.565365764e-01 4.16 -3.401763810e-01 4.18 -3.243544859e-01 4.20 -3.090856386e-01 4.22 -2.943761518e-01 4.24 -2.802231838e-01 4.26 -2.666149570e-01 4.28 -2.535318463e-01 4.30 -2.409481568e-01 4.32 -2.288343400e-01 4.34 -2.171593736e-01 4.36 -2.058930445e-01 4.38 -1.950079147e-01 4.40 -1.844808012e-01 4.42 -1.742936654e-01 4.44 -1.644338690e-01 4.46 -1.548938237e-01 4.48 -1.456701297e-01 4.50 -1.367623371e-01 4.52 -1.281715599e-01 4.54 -1.198991333e-01 4.56 -1.119455129e-01 4.58 -1.043095599e-01 4.60 -9.698825592e-02 4.62 -8.997688513e-02 4.64 -8.326954403e-02 4.66 -7.685968613e-02 4.68 -7.074166605e-02 4.70 -6.491102557e-02 4.72 -5.936489252e-02 4.74 -5.410221276e-02 4.76 -4.912363563e-02 4.78 -4.443108178e-02 4.80 -4.002706737e-02 4.82 -3.591389220e-02 4.84 -3.209280226e-02 4.86 -2.856324588e-02 4.88 -2.532230408e-02 4.90 -2.236435194e-02 4.92 -1.968096749e-02 4.94 -1.726107198e-02 4.96 -1.509125672e-02 4.98 -1.315624320e-02 5.00 -1.143941399e-02 5.02 -9.923357681e-03 5.04 -8.590198163e-03 5.06 -7.422352986e-03 5.08 -6.403061996e-03 5.10 -5.516294064e-03 5.12 -4.746989158e-03 5.14 -4.081212670e-03 5.16 -3.506235095e-03 5.18 -3.010552911e-03 5.20 -2.583865460e-03 5.22 -2.217020834e-03 5.24 -1.901941514e-03 5.26 -1.631538326e-03 5.28 -1.399619223e-03 5.30 -1.200797657e-03 5.32 -1.030403831e-03 5.34 -8.844009903e-04 5.36 -7.593080412e-04 5.38 -6.521290941e-04 5.40 -5.602901185e-04 5.42 -4.815825407e-04 5.44 -4.141134307e-04 5.46 -3.562617964e-04 5.48 -3.066404448e-04 5.50 -2.640628499e-04 5.52 -2.275144780e-04 5.54 -1.961280463e-04 5.56 -1.691622295e-04 5.58 -1.459833733e-04 5.60 -1.260498153e-04 5.62 -1.088984621e-04 5.64 -9.413330990e-05 5.66 -8.141563549e-05 5.68 -7.045562085e-05 5.70 -6.100520527e-05 5.72 -5.285198709e-05 5.74 -4.581402230e-05 5.76 -3.973538842e-05 5.78 -3.448240133e-05 5.80 -2.994038861e-05 5.82 -2.601093720e-05 5.84 -2.260954520e-05 5.86 -1.966361790e-05 5.88 -1.711075718e-05 5.90 -1.489730073e-05 5.92 -1.297707423e-05 5.94 -1.131032492e-05 5.96 -9.862809937e-06 5.98 -8.605016446e-06 6.00 -7.511494382e-06