# 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 = TaZr3 # 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 4.780658028e+02 nan nan 1.16 4.423381177e+02 nan nan 1.18 4.093914008e+02 nan nan 1.20 3.789876540e+02 nan nan 1.22 3.509148297e+02 nan nan 1.24 3.249826667e+02 nan nan 1.26 3.010183870e+02 nan nan 1.28 2.788629107e+02 4.186585140e+02 4.755720594e+02 1.30 2.583687460e+02 3.899488211e+02 4.436660330e+02 1.32 2.393998229e+02 3.632836045e+02 4.140044997e+02 1.34 2.218318993e+02 3.385047317e+02 3.864133243e+02 1.36 2.055522828e+02 3.154677433e+02 3.607333249e+02 1.38 1.904583631e+02 2.940407765e+02 3.368189659e+02 1.40 1.764563134e+02 2.741032860e+02 3.145369897e+02 1.42 1.634603752e+02 2.555441483e+02 2.937650464e+02 1.44 1.513924767e+02 2.382598419e+02 2.743903744e+02 1.46 1.401817273e+02 2.221536232e+02 2.563089316e+02 1.48 1.297639140e+02 2.071356295e+02 2.394250034e+02 1.50 1.200807342e+02 1.931230348e+02 2.236511954e+02 1.52 1.110786597e+02 1.800398698e+02 2.089081281e+02 1.54 1.027081479e+02 1.678166328e+02 1.951234622e+02 1.56 9.492324725e+01 1.563901045e+02 1.822309336e+02 1.58 8.768142580e+01 1.457033372e+02 1.701695941e+02 1.60 8.094328104e+01 1.357053487e+02 1.588832031e+02 1.62 7.467216188e+01 1.263502604e+02 1.483196753e+02 1.64 6.883402181e+01 1.175962480e+02 1.384305146e+02 1.66 6.339743304e+01 1.094046545e+02 1.291704791e+02 1.68 5.833345321e+01 1.017394653e+02 1.204974757e+02 1.70 5.361531944e+01 9.456713485e+01 1.123723322e+02 1.72 4.921811743e+01 8.785641092e+01 1.047584638e+02 1.74 4.511870048e+01 8.157812480e+01 9.762146816e+01 1.76 4.129578560e+01 7.570492016e+01 9.092901506e+01 1.78 3.773007105e+01 7.021104184e+01 8.465096342e+01 1.80 3.440419204e+01 6.507212554e+01 7.875965835e+01 1.82 3.130243274e+01 6.026504722e+01 7.322997428e+01 1.84 2.841034535e+01 5.576773322e+01 6.803916608e+01 1.86 2.571443855e+01 5.155923364e+01 6.316647754e+01 1.88 2.320200940e+01 4.761986895e+01 5.859280212e+01 1.90 2.086109212e+01 4.393140738e+01 5.430042723e+01 1.92 1.868055176e+01 4.047708381e+01 5.027275399e+01 1.94 1.665397812e+01 3.724147795e+01 4.649414521e+01 1.96 1.477357967e+01 3.421029672e+01 4.294976333e+01 1.98 1.302977343e+01 3.137023567e+01 3.962547379e+01 2.00 1.141354732e+01 2.870891305e+01 3.650779354e+01 2.02 9.916363802e+00 2.621481678e+01 3.358387479e+01 2.04 8.530116850e+00 2.387724888e+01 3.084155674e+01 2.06 7.247078430e+00 2.168625226e+01 2.826940031e+01 2.08 6.059906814e+00 1.963252111e+01 2.585670951e+01 2.10 4.961688631e+00 1.770792962e+01 2.359345205e+01 2.12 3.945983907e+00 1.590801327e+01 2.147019001e+01 2.14 3.006848292e+00 1.422586709e+01 1.947803482e+01 2.16 2.138800119e+00 1.265409800e+01 1.760961514e+01 2.18 1.336801444e+00 1.118584627e+01 1.586064324e+01 2.20 5.961837204e-01 9.814751601e+00 1.422385668e+01 2.22 -8.739719158e-02 8.534862411e+00 1.269212845e+01 2.24 -7.180038243e-01 7.340571169e+00 1.125878600e+01 2.26 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-6.316089866e+00 -4.531791003e+00 -3.446863138e+00 2.64 -6.400156841e+00 -4.795766983e+00 -3.789773091e+00 2.66 -6.471698235e+00 -5.037993191e+00 -4.105553363e+00 2.68 -6.531643084e+00 -5.259737745e+00 -4.395822227e+00 2.70 -6.580842529e+00 -5.462201630e+00 -4.662109564e+00 2.72 -6.620115713e+00 -5.646526651e+00 -4.905868787e+00 2.74 -6.650383515e+00 -5.813797228e+00 -5.128490031e+00 2.76 -6.672640966e+00 -5.965037785e+00 -5.331312854e+00 2.78 -6.687520181e+00 -6.101204689e+00 -5.515635901e+00 2.80 -6.695568926e+00 -6.223196962e+00 -5.682726493e+00 2.82 -6.697287041e+00 -6.331832034e+00 -5.833814021e+00 2.84 -6.693126094e+00 -6.427866463e+00 -5.970084522e+00 2.86 -6.683477469e+00 -6.511998901e+00 -6.092662493e+00 2.88 -6.668640804e+00 -6.584880068e+00 -6.202590906e+00 2.90 -6.648730412e+00 -6.647123054e+00 -6.300814941e+00 2.92 -6.623738987e+00 -6.699312266e+00 -6.388174932e+00 2.94 -6.593367633e+00 -6.741985042e+00 -6.465410258e+00 2.96 -6.557322137e+00 -6.775633824e+00 -6.533162840e+00 2.98 -6.515403665e+00 -6.800836363e+00 -6.592031904e+00 3.00 -6.467496583e+00 -6.818274573e+00 -6.642529212e+00 3.02 -6.413560166e+00 -6.828486695e+00 -6.685090569e+00 3.04 -6.353620188e+00 -6.831833806e+00 -6.720147159e+00 3.06 -6.287760313e+00 -6.828691241e+00 -6.748181256e+00 3.08 -6.216113483e+00 -6.819413043e+00 -6.769740354e+00 3.10 -6.138853501e+00 -6.804351532e+00 -6.785301644e+00 3.12 -6.056186897e+00 -6.783845872e+00 -6.795150825e+00 3.14 -5.968344949e+00 -6.758210870e+00 -6.799581023e+00 3.16 -5.875575714e+00 -6.727632796e+00 -6.798888104e+00 3.18 -5.778136178e+00 -6.692179568e+00 -6.793363162e+00 3.20 -5.676285364e+00 -6.651690590e+00 -6.783282289e+00 3.22 -5.570279891e+00 -6.606029515e+00 -6.768877768e+00 3.24 -5.460373900e+00 -6.555154201e+00 -6.750261502e+00 3.26 -5.346824799e+00 -6.499116235e+00 -6.727511243e+00 3.28 -5.229905117e+00 -6.438059777e+00 -6.700528274e+00 3.30 -5.109919123e+00 -6.372216626e+00 -6.669078469e+00 3.32 -4.987221324e+00 -6.301894648e+00 -6.632977362e+00 3.34 -4.862229341e+00 -6.227458640e+00 -6.592093884e+00 3.36 -4.735448531e+00 -6.149305402e+00 -6.546345956e+00 3.38 -4.607448525e+00 -6.067837015e+00 -6.495695973e+00 3.40 -4.478867697e+00 -5.983435341e+00 -6.440145866e+00 3.42 -4.350381616e+00 -5.896451732e+00 -6.379731747e+00 3.44 -4.222688921e+00 -5.807186397e+00 -6.314518436e+00 3.46 -4.096451618e+00 -5.715894002e+00 -6.244594344e+00 3.48 -3.972283441e+00 -5.622784450e+00 -6.170067335e+00 3.50 -3.850716531e+00 -5.528028690e+00 -6.091054164e+00 3.52 -3.732204621e+00 -5.431765635e+00 -6.007713714e+00 3.54 -3.617085923e+00 -5.334109042e+00 -5.920195729e+00 3.56 -3.505603707e+00 -5.235153861e+00 -5.828682707e+00 3.58 -3.397905740e+00 -5.134981962e+00 -5.733385689e+00 3.60 -3.294053537e+00 -5.033667394e+00 -5.634550415e+00 3.62 -3.194034536e+00 -4.931281392e+00 -5.532462078e+00 3.64 -3.097775958e+00 -4.827897342e+00 -5.427446879e+00 3.66 -3.005159122e+00 -4.723595814e+00 -5.319869102e+00 3.68 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-6.307020910e-02 -2.006573524e-01 -2.910584710e-01 5.82 -5.989440755e-02 -1.939413486e-01 -2.822560711e-01 5.84 -5.690009639e-02 -1.874363735e-01 -2.736107413e-01 5.86 -5.407942127e-02 -1.811221347e-01 -2.651101095e-01 5.88 -5.142302598e-02 -1.749791864e-01 -2.567416556e-01 5.90 -4.892023364e-02 -1.689890087e-01 -2.484927648e-01 5.92 -4.655973672e-02 -1.631340601e-01 -2.403508023e-01 5.94 -4.432991100e-02 -1.573978154e-01 -2.323032138e-01 5.96 -4.221894829e-02 -1.517648031e-01 -2.243376552e-01 5.98 -4.021515906e-02 -1.462206511e-01 -2.164421554e-01 6.00 -3.830722501e-02 -1.407521484e-01 -2.086053144e-01