# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Zr # 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 2025-12-17 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 1.049803776e+03 nan 0.80 nan nan nan nan nan nan nan nan 9.490763451e+02 nan 0.82 nan nan nan nan nan nan nan nan 8.587934973e+02 nan 0.84 nan nan nan nan nan 6.757779522e+02 nan nan 7.778748598e+02 nan 0.86 nan nan nan nan nan 6.141053373e+02 nan nan 7.053949169e+02 nan 0.88 nan nan nan nan nan 5.584375140e+02 nan nan 6.404510381e+02 nan 0.90 nan nan nan nan nan 5.082771220e+02 nan nan 5.819985896e+02 nan 0.92 nan nan nan nan nan 4.632863374e+02 nan nan 5.294702063e+02 nan 0.94 nan nan nan 1.129446219e+03 1.129495873e+03 4.225299082e+02 nan nan 4.821128301e+02 7.165885246e+02 0.96 nan 6.404665377e+02 nan 1.037443305e+03 1.037446270e+03 3.856578280e+02 6.617812669e+02 nan 4.393655607e+02 6.555794529e+02 0.98 nan 5.851764405e+02 nan 9.534645677e+02 9.535298458e+02 3.523732441e+02 6.053521566e+02 nan 4.006502847e+02 6.000576939e+02 1.00 nan 5.350795723e+02 nan 8.769784596e+02 8.770693435e+02 3.222245389e+02 5.541171465e+02 nan 3.656941840e+02 5.497403658e+02 1.02 nan 4.896825356e+02 nan 8.072342771e+02 8.072836934e+02 2.950004007e+02 5.077330580e+02 nan 3.340232333e+02 5.038817516e+02 1.04 nan 4.483732588e+02 nan 7.436364470e+02 7.436417222e+02 2.703598628e+02 4.653518989e+02 nan 3.052143098e+02 4.621884309e+02 1.06 nan 4.106644397e+02 nan 6.855282896e+02 6.854600089e+02 2.479297362e+02 4.267077138e+02 6.296471004e+02 2.790379877e+02 4.244113838e+02 1.08 6.321108866e+02 3.762654070e+02 5.583205235e+02 6.321292626e+02 6.320766919e+02 2.274799050e+02 3.916229508e+02 5.799894900e+02 2.552395577e+02 3.898888074e+02 1.10 5.831483929e+02 3.449988745e+02 5.144022879e+02 5.832302751e+02 5.832612378e+02 2.089419969e+02 3.597287857e+02 5.345110194e+02 2.335868620e+02 3.583252847e+02 1.12 5.382763552e+02 3.164406444e+02 4.738413233e+02 5.383617123e+02 5.384199707e+02 1.918818298e+02 3.305606130e+02 4.928237785e+02 2.138158059e+02 3.294270434e+02 1.14 4.970332851e+02 2.903775767e+02 4.365809633e+02 4.971416769e+02 4.971985552e+02 1.761951867e+02 3.038845718e+02 4.546257627e+02 1.957516559e+02 3.029214361e+02 1.16 4.592329936e+02 2.664555491e+02 4.025991858e+02 4.593367773e+02 4.594145516e+02 1.619326228e+02 2.794819449e+02 4.196117423e+02 1.792785498e+02 2.786637811e+02 1.18 4.245184205e+02 2.446337457e+02 3.714755558e+02 4.246301450e+02 4.247270132e+02 1.489214839e+02 2.570887032e+02 3.875129648e+02 1.642436245e+02 2.565126812e+02 1.20 3.925458241e+02 2.246174564e+02 3.429494893e+02 3.926459600e+02 3.927334127e+02 1.370296076e+02 2.365570961e+02 3.578792701e+02 1.504653610e+02 2.362604248e+02 1.22 3.633650335e+02 2.063700502e+02 3.167975141e+02 3.633609876e+02 3.633768056e+02 1.262083592e+02 2.177465343e+02 3.307614666e+02 1.379178809e+02 2.177666962e+02 1.24 3.361370775e+02 1.896506866e+02 2.927660603e+02 3.360530463e+02 3.360296993e+02 1.163607058e+02 2.004988896e+02 3.056038199e+02 1.264940160e+02 2.005826210e+02 1.26 3.110400960e+02 1.743003137e+02 2.706064824e+02 3.109169405e+02 3.108798101e+02 1.072893232e+02 1.846427739e+02 2.824944374e+02 1.160548812e+02 1.846912227e+02 1.28 2.879010110e+02 1.602341989e+02 2.501821123e+02 2.878165859e+02 2.877833795e+02 9.889801430e+01 1.700160318e+02 2.612784967e+02 1.065378282e+02 1.700417296e+02 1.30 2.666060951e+02 1.473956091e+02 2.315227692e+02 2.665846532e+02 2.665628288e+02 9.128702139e+01 1.565396309e+02 2.417568940e+02 9.787309109e+01 1.565761368e+02 1.32 2.470415710e+02 1.355853375e+02 2.141930660e+02 2.470258750e+02 2.469794376e+02 8.412076117e+01 1.440671225e+02 2.237969781e+02 8.986594239e+01 1.442456696e+02 1.34 2.289870329e+02 1.246838815e+02 1.981756526e+02 2.289739092e+02 2.289117323e+02 7.750922113e+01 1.325854494e+02 2.072082233e+02 8.257635761e+01 1.329659836e+02 1.36 2.122891617e+02 1.146661025e+02 1.833218958e+02 2.122885088e+02 2.122236333e+02 7.139597855e+01 1.220319219e+02 1.918710471e+02 7.591835144e+01 1.226159490e+02 1.38 1.968861548e+02 1.054255517e+02 1.695838737e+02 1.968735728e+02 1.968114615e+02 6.577107844e+01 1.123451654e+02 1.776844040e+02 6.980097244e+01 1.130696272e+02 1.40 1.826438364e+02 9.685655566e+01 1.569589389e+02 1.826101377e+02 1.825664444e+02 6.064650814e+01 1.034547810e+02 1.645295984e+02 6.416330875e+01 1.042853227e+02 1.42 1.693997196e+02 8.890649594e+01 1.452927953e+02 1.693754981e+02 1.693680566e+02 5.593200921e+01 9.528540225e+01 1.523388323e+02 5.904716044e+01 9.624917728e+01 1.44 1.570293375e+02 8.159121580e+01 1.344816303e+02 1.570621391e+02 1.571046956e+02 5.157077100e+01 8.782808298e+01 1.409817603e+02 5.424342037e+01 8.888210264e+01 1.46 1.455133646e+02 7.491934921e+01 1.244823266e+02 1.456215283e+02 1.457167294e+02 4.755555282e+01 8.089681012e+01 1.304866904e+02 4.979100319e+01 8.210530153e+01 1.48 1.348723041e+02 6.881755711e+01 1.152013500e+02 1.350150954e+02 1.351381995e+02 4.385933055e+01 7.450462952e+01 1.208026687e+02 4.570179643e+01 7.587141888e+01 1.50 1.251157081e+02 6.319850288e+01 1.065566509e+02 1.252253404e+02 1.253429316e+02 4.044407744e+01 6.862731839e+01 1.118786001e+02 4.195782482e+01 7.025782481e+01 1.52 1.160077091e+02 5.801208822e+01 9.849095238e+01 1.160745068e+02 1.161711742e+02 3.726359852e+01 6.324214738e+01 1.035430188e+02 3.850509336e+01 6.493068573e+01 1.54 1.075426329e+02 5.323104718e+01 9.099625258e+01 1.075806266e+02 1.076573121e+02 3.429629213e+01 5.830364671e+01 9.577897315e+01 3.532892805e+01 5.997985683e+01 1.56 9.965337471e+01 4.883578498e+01 8.407940255e+01 9.969954607e+01 9.976963520e+01 3.155127704e+01 5.379740112e+01 8.858139522e+01 3.241684162e+01 5.535282975e+01 1.58 9.231613626e+01 4.481062057e+01 7.770170281e+01 9.238316652e+01 9.244660062e+01 2.902200187e+01 4.966176620e+01 8.193517726e+01 2.975286595e+01 5.105064019e+01 1.60 8.553616776e+01 4.111860826e+01 7.178903893e+01 8.559812222e+01 8.564133521e+01 2.667641248e+01 4.583537982e+01 7.580805170e+01 2.729386577e+01 4.710589419e+01 1.62 7.925526054e+01 3.772146483e+01 6.629472118e+01 7.929147992e+01 7.930969108e+01 2.448758829e+01 4.229046048e+01 7.014041672e+01 2.500244539e+01 4.348145716e+01 1.64 7.341175304e+01 3.459962684e+01 6.119775710e+01 7.343747025e+01 7.343106915e+01 2.244255860e+01 3.900439519e+01 6.488522429e+01 2.285855041e+01 4.010577994e+01 1.66 6.800753887e+01 3.172472786e+01 5.647813289e+01 6.801399419e+01 6.798067894e+01 2.053382885e+01 3.596278380e+01 6.003244597e+01 2.087216013e+01 3.696300590e+01 1.68 6.302472771e+01 2.906507580e+01 5.211656192e+01 6.299839818e+01 6.293722945e+01 1.876011089e+01 3.312779634e+01 5.554137875e+01 1.902925366e+01 3.404213446e+01 1.70 5.840909840e+01 2.659464387e+01 4.808644459e+01 5.833730182e+01 5.825547389e+01 1.711592944e+01 3.052380685e+01 5.137246137e+01 1.731941870e+01 3.131572603e+01 1.72 5.411604149e+01 2.435321370e+01 4.436416727e+01 5.401604867e+01 5.392217861e+01 1.558568205e+01 2.804725619e+01 4.749419146e+01 1.577245056e+01 2.876497741e+01 1.74 5.011212566e+01 2.222407155e+01 4.095039481e+01 4.999943828e+01 4.990300723e+01 1.416849699e+01 2.574432317e+01 4.387430015e+01 1.429854705e+01 2.638852858e+01 1.76 4.637629432e+01 2.023036229e+01 3.784325555e+01 4.627227927e+01 4.618069017e+01 1.287375285e+01 2.360663594e+01 4.051600669e+01 1.293438243e+01 2.419211282e+01 1.78 4.291376146e+01 1.840145058e+01 3.500784258e+01 4.282823718e+01 4.274506730e+01 1.169385689e+01 2.161612459e+01 3.741746555e+01 1.168175055e+01 2.217766913e+01 1.80 3.971022035e+01 1.672830537e+01 3.239360846e+01 3.963113345e+01 3.955770355e+01 1.058717342e+01 1.975891884e+01 3.454716097e+01 1.053887718e+01 2.032503293e+01 1.82 3.672606411e+01 1.518549133e+01 2.995708871e+01 3.665490901e+01 3.659696076e+01 9.292759482e+00 1.802056907e+01 3.187126694e+01 9.486185819e+00 1.860242796e+01 1.84 3.392897733e+01 1.378502596e+01 2.774835332e+01 3.388075767e+01 3.384731115e+01 8.084304460e+00 1.639915021e+01 2.937027351e+01 8.512576559e+00 1.698718043e+01 1.86 3.131212821e+01 1.251003484e+01 2.560602456e+01 3.129825892e+01 3.129239750e+01 6.961526958e+00 1.489608867e+01 2.703191521e+01 7.614662355e+00 1.547791213e+01 1.88 2.888353672e+01 1.133468988e+01 2.361187774e+01 2.890035034e+01 2.891778636e+01 5.943369315e+00 1.350461383e+01 2.486433413e+01 6.484157870e+00 1.408276901e+01 1.90 2.663852661e+01 1.031362805e+01 2.176047404e+01 2.667704977e+01 2.671421794e+01 5.029663999e+00 1.221483623e+01 2.286428628e+01 5.434863881e+00 1.279678382e+01 1.92 2.455314993e+01 9.285638155e+00 2.003208732e+01 2.461267723e+01 2.466993116e+01 4.193111696e+00 1.102230034e+01 2.101848214e+01 4.479987434e+00 1.160727904e+01 1.94 2.260127607e+01 8.338596115e+00 1.840920875e+01 2.268363040e+01 2.276053557e+01 3.409364862e+00 9.927166784e+00 1.931304544e+01 3.601882497e+00 1.050478705e+01 1.96 2.077653077e+01 7.480267564e+00 1.688337287e+01 2.088075469e+01 2.097146367e+01 2.669805391e+00 8.919913062e+00 1.774042558e+01 2.801674117e+00 9.489974811e+00 1.98 1.910055338e+01 6.703783673e+00 1.545046783e+01 1.921832653e+01 1.931126748e+01 1.973162823e+00 7.992533116e+00 1.629217802e+01 2.071396891e+00 8.567218716e+00 2.00 1.758411399e+01 5.992229364e+00 1.410263535e+01 1.769408869e+01 1.777565282e+01 1.318369064e+00 7.166660812e+00 1.496530104e+01 1.403009966e+00 7.732380408e+00 2.02 1.620769580e+01 5.329683897e+00 1.283470594e+01 1.629125639e+01 1.635255122e+01 7.013216007e-01 6.362341009e+00 1.373672236e+01 7.910499918e-01 6.971197267e+00 2.04 1.493176112e+01 4.703001875e+00 1.164624820e+01 1.498486759e+01 1.502652252e+01 1.183507482e-01 5.630681641e+00 1.258224695e+01 2.313648755e-01 6.264118389e+00 2.06 1.373002868e+01 3.914904169e+00 1.054416657e+01 1.376323779e+01 1.379304625e+01 -4.239267948e-01 4.730287046e+00 1.158472668e+01 -2.771213375e-01 5.324547789e+00 2.08 1.259542566e+01 3.052716414e+00 9.532776627e+00 1.261512763e+01 1.264131077e+01 -9.136305893e-01 3.801515949e+00 1.054250400e+01 -7.479523687e-01 4.399266377e+00 2.10 1.151877199e+01 2.253457092e+00 8.603410343e+00 1.153053078e+01 1.155535342e+01 -1.350745735e+00 2.993242433e+00 9.555604005e+00 -1.199962932e+00 3.531526987e+00 2.12 1.064487294e+01 1.536390135e+00 7.842428967e+00 1.064969165e+01 1.066987678e+01 -1.690092475e+00 2.313599828e+00 8.677744040e+00 -1.602316572e+00 2.804220702e+00 2.14 9.673036352e+00 8.539682126e-01 7.032272743e+00 9.668814845e+00 9.677972951e+00 -2.048310177e+00 1.634714169e+00 7.808337963e+00 -2.022109273e+00 2.073187588e+00 2.16 8.755091637e+00 2.179391642e-01 6.268455785e+00 8.740560000e+00 8.735534198e+00 -2.387037659e+00 1.007155844e+00 6.993117995e+00 -2.415427346e+00 1.410871950e+00 2.18 7.890001737e+00 -3.694356950e-01 5.557024525e+00 7.863746284e+00 7.844406737e+00 -2.702876020e+00 4.409768343e-01 6.231937159e+00 -2.783933289e+00 8.114969251e-01 2.20 7.073082985e+00 -9.033316178e-01 4.906031601e+00 7.040594647e+00 7.010375205e+00 -2.988167179e+00 -8.046640319e-02 5.523225427e+00 -3.124097209e+00 2.655442370e-01 2.22 6.304250068e+00 -1.390793155e+00 4.310842775e+00 6.272815822e+00 6.237154499e+00 -3.255475827e+00 -5.684231157e-01 4.868464537e+00 -3.435584341e+00 -2.413696957e-01 2.24 5.595410444e+00 -1.838446624e+00 3.622346770e+00 5.566777174e+00 5.528786297e+00 -3.501475321e+00 -1.017166018e+00 4.268149562e+00 -3.713549676e+00 -7.032669807e-01 2.26 4.955409648e+00 -2.250132906e+00 2.844882151e+00 4.925745595e+00 4.884641251e+00 -3.710407296e+00 -1.429684635e+00 3.513738223e+00 -3.963097771e+00 -1.132085755e+00 2.28 4.377216293e+00 -2.625453786e+00 2.127774617e+00 4.343681096e+00 4.298476348e+00 -3.895153823e+00 -1.803822477e+00 2.716126978e+00 -4.186353883e+00 -1.537728945e+00 2.30 3.726189313e+00 -2.970105094e+00 1.466595065e+00 3.720554441e+00 3.701353248e+00 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