# 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 = Mo3Zr # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 3.929219233e+02 nan nan 1.16 3.617167271e+02 nan nan 1.18 3.330737599e+02 nan nan 1.20 3.067531705e+02 nan nan 1.22 2.825372045e+02 nan nan 1.24 2.602289589e+02 nan nan 1.26 2.396524116e+02 nan nan 1.28 2.206531709e+02 3.406724143e+02 3.905463124e+02 1.30 2.030985716e+02 3.158478220e+02 3.627038977e+02 1.32 1.868757971e+02 2.928854414e+02 3.368786284e+02 1.34 1.718877026e+02 2.716210684e+02 3.129015375e+02 1.36 1.580475505e+02 2.519026737e+02 2.906261853e+02 1.38 1.452743559e+02 2.335919450e+02 2.699256337e+02 1.40 1.334899927e+02 2.165659545e+02 2.506870718e+02 1.42 1.226181841e+02 2.007173956e+02 2.328067745e+02 1.44 1.125848946e+02 1.859531865e+02 2.161871730e+02 1.46 1.033193737e+02 1.721923354e+02 2.007360696e+02 1.48 9.475546989e+01 1.593639052e+02 1.863668338e+02 1.50 8.683271015e+01 1.474053129e+02 1.729986247e+02 1.52 7.949672620e+01 1.362609757e+02 1.605561263e+02 1.54 7.269924920e+01 1.258811916e+02 1.489689865e+02 1.56 6.639797590e+01 1.162211472e+02 1.381716212e+02 1.58 6.055629743e+01 1.072398721e+02 1.281034755e+02 1.60 5.514272486e+01 9.889896866e+01 1.187093878e+02 1.62 5.012985779e+01 9.116121442e+01 1.099396592e+02 1.64 4.549322406e+01 8.398943123e+01 1.017496991e+02 1.66 4.121015752e+01 7.734595048e+01 9.409950889e+01 1.68 3.725887874e+01 7.119274947e+01 8.695320245e+01 1.70 3.361781749e+01 6.549210988e+01 8.027852537e+01 1.72 3.026526469e+01 6.020740246e+01 7.404638418e+01 1.74 2.717940120e+01 5.530378635e+01 6.823034227e+01 1.76 2.433885194e+01 5.074870667e+01 6.280616551e+01 1.78 2.172809777e+01 4.651224201e+01 5.775136377e+01 1.80 1.933160885e+01 4.256732296e+01 5.304476160e+01 1.82 1.712982754e+01 3.888987704e+01 4.866602532e+01 1.84 1.510444852e+01 3.545882413e+01 4.459528444e+01 1.86 1.323853587e+01 3.225598901e+01 4.081286850e+01 1.88 1.151669901e+01 2.926583138e+01 3.729926670e+01 1.90 9.925261151e+00 2.647516824e+01 3.403523673e+01 1.92 8.452349127e+00 2.387289476e+01 3.100193987e+01 1.94 7.087886525e+00 2.145275278e+01 2.818112011e+01 1.96 5.823419242e+00 1.920698281e+01 2.555529284e+01 1.98 4.651831429e+00 1.712518155e+01 2.310888705e+01 2.00 3.567009330e+00 1.519719349e+01 2.083212107e+01 2.02 2.563529648e+00 1.341304014e+01 1.871197560e+01 2.04 1.636415196e+00 1.176289199e+01 1.673531259e+01 2.06 7.809915796e-01 1.023706447e+01 1.489066200e+01 2.08 -7.205646487e-03 8.826042646e+00 1.316822691e+01 2.10 -7.324603929e-01 7.520562329e+00 1.155972007e+01 2.12 -1.398874995e+00 6.311750260e+00 1.005811866e+01 2.14 -2.010356586e+00 5.191299149e+00 8.657391215e+00 2.16 -2.570605424e+00 4.151643965e+00 7.352243485e+00 2.18 -3.083124899e+00 3.186070487e+00 6.137900316e+00 2.20 -3.551215759e+00 2.288738376e+00 5.009903151e+00 2.22 -3.977996321e+00 1.454605284e+00 3.963988961e+00 2.24 -4.366404350e+00 6.793051412e-01 2.995974210e+00 2.26 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2.62 -7.016492745e+00 -6.543565641e+00 -5.754157573e+00 2.64 -6.981059028e+00 -6.664883557e+00 -5.923574678e+00 2.66 -6.933457257e+00 -6.769043452e+00 -6.077297806e+00 2.68 -6.874562221e+00 -6.856779427e+00 -6.216328685e+00 2.70 -6.805327199e+00 -6.928837362e+00 -6.341600397e+00 2.72 -6.726504763e+00 -6.986018661e+00 -6.453987872e+00 2.74 -6.637961231e+00 -7.029151230e+00 -6.554315168e+00 2.76 -6.539625722e+00 -7.058978517e+00 -6.643359755e+00 2.78 -6.431744116e+00 -7.076262676e+00 -6.721853386e+00 2.80 -6.314859541e+00 -7.081588687e+00 -6.790519222e+00 2.82 -6.189759007e+00 -7.075552903e+00 -6.849995992e+00 2.84 -6.057410741e+00 -7.059252339e+00 -6.900792551e+00 2.86 -5.918883579e+00 -7.033740938e+00 -6.943336106e+00 2.88 -5.775266383e+00 -6.999887922e+00 -6.977681990e+00 2.90 -5.627597043e+00 -6.958363774e+00 -7.004164426e+00 2.92 -5.476805721e+00 -6.909813368e+00 -7.023184920e+00 2.94 -5.323703247e+00 -6.854865285e+00 -7.034999118e+00 2.96 -5.168949175e+00 -6.793996671e+00 -7.039727247e+00 2.98 -5.013089252e+00 -6.727158841e+00 -7.037320669e+00 3.00 -4.856582966e+00 -6.654143929e+00 -7.027559404e+00 3.02 -4.699843511e+00 -6.574831224e+00 -7.010198204e+00 3.04 -4.543276109e+00 -6.489188034e+00 -6.984990840e+00 3.06 -4.387307393e+00 -6.397254636e+00 -6.951566337e+00 3.08 -4.232400933e+00 -6.299105952e+00 -6.909224780e+00 3.10 -4.079057087e+00 -6.194843205e+00 -6.857329270e+00 3.12 -3.927798407e+00 -6.084574561e+00 -6.795381664e+00 3.14 -3.779144360e+00 -5.968418285e+00 -6.723019517e+00 3.16 -3.633580676e+00 -5.846483572e+00 -6.640009546e+00 3.18 -3.491529153e+00 -5.718886284e+00 -6.546238119e+00 3.20 -3.353323179e+00 -5.585753548e+00 -6.441699393e+00 3.22 -3.219192925e+00 -5.447235640e+00 -6.326488848e+00 3.24 -3.089262193e+00 -5.303521244e+00 -6.200790877e+00 3.26 -2.963556743e+00 -5.154855044e+00 -6.064882055e+00 3.28 -2.842021942e+00 -5.001555926e+00 -5.919136041e+00 3.30 -2.724546272e+00 -4.844033463e+00 -5.764035996e+00 3.32 -2.610986843e+00 -4.682800260e+00 -5.600191381e+00 3.34 -2.501193460e+00 -4.518478321e+00 -5.428355835e+00 3.36 -2.395028721e+00 -4.351798539e+00 -5.249442071e+00 3.38 -2.292382677e+00 -4.183593235e+00 -5.064529499e+00 3.40 -2.193181547e+00 -4.014780950e+00 -4.874860755e+00 3.42 -2.097385452e+00 -3.846350459e+00 -4.681824453e+00 3.44 -2.005008207e+00 -3.679326828e+00 -4.486923223e+00 3.46 -1.916075944e+00 -3.514744306e+00 -4.291728311e+00 3.48 -1.830642344e+00 -3.353608770e+00 -4.097824218e+00 3.50 -1.748770246e+00 -3.196860235e+00 -3.906744228e+00 3.52 -1.670519161e+00 -3.045337429e+00 -3.719930624e+00 3.54 -1.595933391e+00 -2.899747954e+00 -3.538654322e+00 3.56 -1.525032178e+00 -2.760646909e+00 -3.363997452e+00 3.58 -1.457803063e+00 -2.628425684e+00 -3.196824612e+00 3.60 -1.394199051e+00 -2.503311254e+00 -3.037775198e+00 3.62 -1.334139417e+00 -2.385374997e+00 -2.887269337e+00 3.64 -1.277513288e+00 -2.274549119e+00 -2.745524055e+00 3.66 -1.224184790e+00 -2.170648287e+00 -2.612575847e+00 3.68 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-1.423999218e-02 -6.838031747e-02 -9.950650107e-02 5.82 -1.264008546e-02 -6.608261718e-02 -9.647773402e-02 5.84 -1.118054261e-02 -6.385792502e-02 -9.350422474e-02 5.86 -9.857386780e-03 -6.169919759e-02 -9.058164950e-02 5.88 -8.664920669e-03 -5.959969640e-02 -8.770564228e-02 5.90 -7.596102006e-03 -5.755301371e-02 -8.487181284e-02 5.92 -6.642923172e-03 -5.555308881e-02 -8.207577211e-02 5.94 -5.796769899e-03 -5.359421972e-02 -7.931316636e-02 5.96 -5.048741367e-03 -5.167107424e-02 -7.657972110e-02 5.98 -4.389921215e-03 -4.977870396e-02 -7.387129623e-02 6.00 -3.811595338e-03 -4.791256543e-02 -7.118395529e-02