# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Starikov-S-V-Kolotova-L-N-Kuksin-A-Y-et-al--U-Mo # implementation = 2018--Starikov-S-V--U-Mo--LAMMPS--ipr2 # composition = Mo # 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 2022-05-24 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 3.228176875e+01 nan 0.80 nan nan nan nan nan nan nan nan 2.945453438e+01 nan 0.82 nan nan nan nan nan nan nan nan 2.683078540e+01 nan 0.84 nan nan nan nan nan 1.977350218e+01 nan nan 2.424785295e+01 nan 0.86 nan nan nan nan nan 1.765480542e+01 nan nan 2.174841995e+01 nan 0.88 nan nan nan nan nan 1.570862426e+01 nan nan 1.938863454e+01 nan 0.90 nan nan nan nan nan 1.391459439e+01 nan nan 1.725647791e+01 nan 0.92 nan nan nan nan nan 1.232018456e+01 nan nan 1.541835322e+01 nan 0.94 nan nan nan 3.472400600e+01 3.464952840e+01 1.093253303e+01 nan nan 1.392350832e+01 2.251984998e+01 0.96 nan 2.020966845e+01 nan 3.200550801e+01 3.186969532e+01 9.713989015e+00 2.139501038e+01 nan 1.260512996e+01 2.021708167e+01 0.98 nan 1.855886675e+01 nan 2.950284719e+01 2.936100447e+01 8.664573481e+00 1.934010977e+01 nan 1.145562745e+01 1.817605461e+01 1.00 nan 1.700640743e+01 nan 2.725057221e+01 2.711929169e+01 7.791997401e+00 1.744014388e+01 nan 1.043596778e+01 1.632233420e+01 1.02 nan 1.555344734e+01 nan 2.529042102e+01 2.518434430e+01 7.003144522e+00 1.560128937e+01 nan 9.446894944e+00 1.469522727e+01 1.04 nan 1.413557200e+01 nan 2.350776077e+01 2.347478141e+01 6.336347618e+00 1.394961152e+01 nan 8.453520115e+00 1.331383143e+01 1.06 nan 1.281117161e+01 nan 2.184252127e+01 2.184749506e+01 5.833158060e+00 1.248654060e+01 2.014151235e+01 7.470465057e+00 1.222660085e+01 1.08 2.013711922e+01 1.157314761e+01 1.838062404e+01 2.017521191e+01 2.021544056e+01 5.412221099e+00 1.116362645e+01 1.860286637e+01 6.539377268e+00 1.132076495e+01 1.10 1.865631994e+01 1.044936795e+01 1.707358449e+01 1.863604597e+01 1.868030272e+01 5.013479928e+00 1.011799999e+01 1.714119369e+01 5.700539549e+00 1.046904164e+01 1.12 1.724664090e+01 9.436958611e+00 1.565254172e+01 1.723429461e+01 1.733416422e+01 4.585344791e+00 9.255097740e+00 1.567177863e+01 4.926728680e+00 9.569630810e+00 1.14 1.581203138e+01 8.474716989e+00 1.411182626e+01 1.588361124e+01 1.602446010e+01 4.084801419e+00 8.468011913e+00 1.428867246e+01 4.257438803e+00 8.663868558e+00 1.16 1.438950432e+01 7.614265130e+00 1.260503836e+01 1.458375331e+01 1.475821700e+01 3.585668298e+00 7.742153612e+00 1.295701087e+01 3.643898200e+00 7.778663774e+00 1.18 1.307898798e+01 6.816118964e+00 1.121652734e+01 1.335669853e+01 1.352383006e+01 3.083740341e+00 7.049127074e+00 1.176231053e+01 3.053198899e+00 6.881885021e+00 1.20 1.193149993e+01 6.049930894e+00 9.958589816e+00 1.220858551e+01 1.235227340e+01 2.610267128e+00 6.342111060e+00 1.074684488e+01 2.537541937e+00 6.034897859e+00 1.22 1.094020244e+01 5.291234823e+00 8.827429584e+00 1.114150300e+01 1.122008948e+01 2.163237755e+00 5.613407123e+00 9.873160702e+00 2.104393357e+00 5.290700315e+00 1.24 1.008163035e+01 4.583565849e+00 7.874648598e+00 1.012021490e+01 1.011709255e+01 1.766775404e+00 4.910887322e+00 9.076648432e+00 1.749172994e+00 4.616994828e+00 1.26 9.313493318e+00 3.917267577e+00 7.104074070e+00 9.153324063e+00 9.055475095e+00 1.432672421e+00 4.281615055e+00 8.331713265e+00 1.416821905e+00 3.986215564e+00 1.28 8.575144242e+00 3.297213596e+00 6.521274499e+00 8.280936964e+00 8.109396556e+00 1.150475702e+00 3.690363844e+00 7.600829964e+00 1.130800199e+00 3.390459302e+00 1.30 7.852965282e+00 2.709867372e+00 6.086330634e+00 7.499742509e+00 7.273768458e+00 8.758971357e-01 3.143304974e+00 6.881467573e+00 8.794154066e-01 2.815237845e+00 1.32 7.116539829e+00 2.157003191e+00 5.726773451e+00 6.781440133e+00 6.540387686e+00 5.843898687e-01 2.608371823e+00 6.193180654e+00 6.346487968e-01 2.254722119e+00 1.34 6.398042441e+00 1.652193219e+00 5.324698401e+00 6.139326345e+00 5.930459719e+00 2.481205740e-01 2.098033050e+00 5.519558501e+00 4.067817675e-01 1.787576575e+00 1.36 5.688403941e+00 1.196436332e+00 4.841036647e+00 5.539253617e+00 5.385613697e+00 -1.463355815e-01 1.596696638e+00 4.833877964e+00 1.999613835e-01 1.397706319e+00 1.38 4.986012611e+00 7.750597601e-01 4.287082055e+00 4.958634160e+00 4.874806626e+00 -5.924370849e-01 1.086123652e+00 4.136550556e+00 1.750543721e-02 1.072921288e+00 1.40 4.302058989e+00 3.999609552e-01 3.720545658e+00 4.396504957e+00 4.394043914e+00 -1.043459098e+00 6.660836954e-01 3.495024476e+00 -1.526023354e-01 8.036908637e-01 1.42 3.659919973e+00 7.310780540e-02 3.136101765e+00 3.851349417e+00 3.932276198e+00 -1.478253948e+00 3.239326334e-01 2.906813308e+00 -3.166142939e-01 5.849616715e-01 1.44 3.079427088e+00 -2.238873162e-01 2.523882402e+00 3.328861853e+00 3.486659249e+00 -1.882717997e+00 2.314799836e-02 2.377842551e+00 -4.908978382e-01 4.185224228e-01 1.46 2.554280672e+00 -4.911836027e-01 1.897243401e+00 2.844564885e+00 3.062168952e+00 -2.263793992e+00 -2.387505759e-01 1.906240733e+00 -6.801298850e-01 3.044585125e-01 1.48 2.093309316e+00 -7.203227864e-01 1.288483104e+00 2.371454833e+00 2.619096471e+00 -2.619917876e+00 -4.522543740e-01 1.485824991e+00 -8.837646341e-01 2.355049442e-01 1.50 1.685388608e+00 -9.093665916e-01 7.455038739e-01 1.913962791e+00 2.154195729e+00 -2.931491967e+00 -6.227334886e-01 1.110580811e+00 -1.110897552e+00 1.908362650e-01 1.52 1.319613257e+00 -1.098156103e+00 2.747740529e-01 1.473419027e+00 1.674790864e+00 -3.189030296e+00 -7.290502737e-01 7.747251742e-01 -1.361770223e+00 1.520327801e-01 1.54 9.651694105e-01 -1.250742929e+00 -1.400413589e-01 1.047360231e+00 1.194585037e+00 -3.400403330e+00 -7.769776603e-01 4.383085866e-01 -1.623200060e+00 8.129738295e-02 1.56 6.285171383e-01 -1.372626826e+00 -5.018187091e-01 6.448180282e-01 7.335590825e-01 -3.570720910e+00 -7.888466855e-01 1.180990085e-01 -1.867766281e+00 -3.505000471e-02 1.58 3.139731337e-01 -1.449578751e+00 -8.130182035e-01 2.705722581e-01 2.969944867e-01 -3.713406249e+00 -7.943590672e-01 -1.655644954e-01 -2.084497736e+00 -2.108328737e-01 1.60 3.422738473e-02 -1.495322786e+00 -1.062884399e+00 -7.462926046e-02 -1.130768558e-01 -3.833787884e+00 -8.145870997e-01 -4.350453444e-01 -2.290961041e+00 -4.432143748e-01 1.62 -2.215146269e-01 -1.540434323e+00 -1.258742484e+00 -3.779348420e-01 -4.751668704e-01 -3.936964667e+00 -8.592051489e-01 -6.688010820e-01 -2.486728492e+00 -7.158163569e-01 1.64 -4.787384113e-01 -1.588848863e+00 -1.379732769e+00 -6.449430586e-01 -7.893440024e-01 -4.025781124e+00 -9.305411443e-01 -8.734417603e-01 -2.666485695e+00 -1.012578439e+00 1.66 -7.372273172e-01 -1.639021816e+00 -1.462585362e+00 -8.769084042e-01 -1.052603076e+00 -4.104165823e+00 -1.022958076e+00 -1.069847501e+00 -2.834275116e+00 -1.312003355e+00 1.68 -9.805921474e-01 -1.683420373e+00 -1.515129654e+00 -1.100391759e+00 -1.283574255e+00 -4.170955480e+00 -1.133610046e+00 -1.260781826e+00 -3.011628723e+00 -1.611446222e+00 1.70 -1.191295921e+00 -1.710452535e+00 -1.541154385e+00 -1.275107554e+00 -1.453999713e+00 -4.220221269e+00 -1.270049048e+00 -1.402215692e+00 -3.176139239e+00 -1.905465964e+00 1.72 -1.350168208e+00 -1.749406911e+00 -1.557593593e+00 -1.413451607e+00 -1.578449029e+00 -4.258529794e+00 -1.431122839e+00 -1.503250209e+00 -3.332958995e+00 -2.176784138e+00 1.74 -1.468889299e+00 -1.807383982e+00 -1.573336183e+00 -1.533836778e+00 -1.675122478e+00 -4.293139298e+00 -1.603904703e+00 -1.579509060e+00 -3.476632889e+00 -2.419439338e+00 1.76 -1.567787094e+00 -1.880480696e+00 -1.580625833e+00 -1.626382855e+00 -1.738224013e+00 -4.320702990e+00 -1.780381116e+00 -1.639920105e+00 -3.612070876e+00 -2.632534257e+00 1.78 -1.641952282e+00 -1.960527506e+00 -1.568864556e+00 -1.695900951e+00 -1.770502105e+00 -4.336202689e+00 -1.947371551e+00 -1.688385141e+00 -3.731643544e+00 -2.811765075e+00 1.80 -1.690892543e+00 -2.031948501e+00 -1.531677627e+00 -1.727202114e+00 -1.763228419e+00 -4.334704598e+00 -2.111824084e+00 -1.727711250e+00 -3.841670365e+00 -2.960663832e+00 1.82 -1.726027287e+00 -2.101116746e+00 -1.478746678e+00 -1.737974080e+00 -1.734279665e+00 -4.311227000e+00 -2.277286294e+00 -1.765409049e+00 -3.948480586e+00 -3.084835005e+00 1.84 -1.750094240e+00 -2.168691657e+00 -1.431004657e+00 -1.741197714e+00 -1.698573715e+00 -4.271833191e+00 -2.448071583e+00 -1.776164889e+00 -4.042407367e+00 -3.186893591e+00 1.86 -1.799279499e+00 -2.229159662e+00 -1.420387606e+00 -1.767843480e+00 -1.690714453e+00 -4.229145752e+00 -2.634108274e+00 -1.795514077e+00 -4.140719386e+00 -3.286466695e+00 1.88 -1.806221675e+00 -2.284255735e+00 -1.397513356e+00 -1.752696479e+00 -1.648654943e+00 -4.156471759e+00 -2.813989275e+00 -1.810944292e+00 -4.219244247e+00 -3.352732580e+00 1.90 -1.822262319e+00 -2.345160747e+00 -1.391826202e+00 -1.746276145e+00 -1.625781854e+00 -4.069184530e+00 -2.998072917e+00 -1.834419307e+00 -4.284339439e+00 -3.419533729e+00 1.92 -1.841530077e+00 -2.415099488e+00 -1.410095187e+00 -1.752765597e+00 -1.626976395e+00 -3.975349504e+00 -3.175743634e+00 -1.858047874e+00 -4.333620529e+00 -3.485588491e+00 1.94 -1.859157539e+00 -2.494826216e+00 -1.460417345e+00 -1.760518876e+00 -1.638616672e+00 -3.883943685e+00 -3.339437547e+00 -1.877420617e+00 -4.371199445e+00 -3.547690549e+00 1.96 -1.873052141e+00 -2.581359897e+00 -1.544373433e+00 -1.767352928e+00 -1.655447195e+00 -3.799556213e+00 -3.483958730e+00 -1.893453319e+00 -4.398810086e+00 -3.605250593e+00 1.98 -1.888674538e+00 -2.672124971e+00 -1.660751063e+00 -1.779243540e+00 -1.680485243e+00 -3.725409931e+00 -3.620554077e+00 -1.911818664e+00 -4.419928579e+00 -3.665872338e+00 2.00 -1.907264352e+00 -2.764953391e+00 -1.801952724e+00 -1.795694195e+00 -1.710811505e+00 -3.661719544e+00 -3.751635309e+00 -1.935792094e+00 -4.433761872e+00 -3.734238354e+00 2.02 -1.925527080e+00 -2.864658024e+00 -1.958648256e+00 -1.814997905e+00 -1.745468200e+00 -3.607911478e+00 -3.870698547e+00 -1.960859205e+00 -4.439430233e+00 -3.807102213e+00 2.04 -1.942522634e+00 -2.981478180e+00 -2.120974261e+00 -1.839470859e+00 -1.788762959e+00 -3.562723794e+00 -3.978262507e+00 -1.985695130e+00 -4.438039407e+00 -3.881146718e+00 2.06 -1.957227303e+00 -3.115361803e+00 -2.279768065e+00 -1.877556887e+00 -1.849428472e+00 -3.524625632e+00 -4.068327389e+00 -2.021788153e+00 -4.433121667e+00 -3.952623092e+00 2.08 -1.974160081e+00 -3.264080113e+00 -2.432610278e+00 -1.935192106e+00 -1.931693733e+00 -3.494497094e+00 -4.144997963e+00 -2.076266916e+00 -4.427304764e+00 -4.022329961e+00 2.10 -2.008887199e+00 -3.427301840e+00 -2.587582304e+00 -2.014762822e+00 -2.034645456e+00 -3.477518692e+00 -4.210706832e+00 -2.151947036e+00 -4.416679121e+00 -4.099639402e+00 2.12 -2.063195496e+00 -3.601995822e+00 -2.740612686e+00 -2.102160682e+00 -2.141548282e+00 -3.470613533e+00 -4.261642408e+00 -2.249639878e+00 -4.398500380e+00 -4.180936817e+00 2.14 -2.137825743e+00 -3.784470036e+00 -2.887705118e+00 -2.197248367e+00 -2.251001165e+00 -3.469903236e+00 -4.298075065e+00 -2.367781514e+00 -4.379835267e+00 -4.261107373e+00 2.16 -2.231146786e+00 -3.970831357e+00 -3.024694238e+00 -2.304825376e+00 -2.368575482e+00 -3.718269227e+00 -4.328572842e+00 -2.506721454e+00 -4.496677931e+00 -4.334192193e+00 2.18 -2.341457861e+00 -4.156289517e+00 -3.147857107e+00 -2.425871095e+00 -2.496258359e+00 -3.897415529e+00 -4.358944607e+00 -2.665421163e+00 -4.704402614e+00 -4.395957312e+00 2.20 -2.469589218e+00 -4.337208082e+00 -3.255990384e+00 -2.560315650e+00 -2.633761629e+00 -4.051571178e+00 -4.391729590e+00 -2.843841668e+00 -4.873200802e+00 -4.445512649e+00 2.22 -2.619072526e+00 -4.511073490e+00 -3.357650253e+00 -2.708074873e+00 -2.779380004e+00 -4.193641092e+00 -4.431540755e+00 -3.025653605e+00 -5.032092476e+00 -4.487132374e+00 2.24 -2.790951508e+00 -4.845027630e+00 -3.456367899e+00 -2.865772740e+00 -2.928588140e+00 -4.316245520e+00 -4.475579885e+00 -3.207146266e+00 -5.164054664e+00 -4.522208560e+00 2.26 -2.979406758e+00 -5.202845072e+00 -3.554286150e+00 -3.031040610e+00 -3.080684778e+00 -4.416483185e+00 -4.520210050e+00 -3.393630166e+00 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