# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Zhou-X-W-Ward-D-K-Martin-J-E-et-al--Zn-Cd-Hg-S-Se-Te # implementation = 2013--Zhou-X-W--Zn-Cd-Hg-S-Se-Te--LAMMPS--ipr1 # composition = TeZn3 # 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 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 1.193744235e+04 nan nan 0.88 1.038623856e+04 nan nan 0.90 9.068770249e+03 nan nan 0.92 7.944407200e+03 nan nan 0.94 6.981176960e+03 1.183594188e+04 nan 0.96 6.151357566e+03 1.041375822e+04 1.241287115e+04 0.98 5.433171805e+03 9.187217178e+03 1.099144138e+04 1.00 4.809308994e+03 8.125865624e+03 9.760878750e+03 1.02 4.265144514e+03 7.208557893e+03 8.684262818e+03 1.04 3.789435180e+03 6.415696096e+03 7.731303174e+03 1.06 3.373205516e+03 5.725941875e+03 6.883844462e+03 1.08 3.007342402e+03 5.118747944e+03 6.130569398e+03 1.10 2.683006113e+03 4.579273472e+03 5.461407929e+03 1.12 2.393591700e+03 4.099266469e+03 4.867388945e+03 1.14 2.135304894e+03 3.673101883e+03 4.341514037e+03 1.16 1.905488367e+03 3.295289586e+03 3.878314644e+03 1.18 1.701370873e+03 2.960129018e+03 3.472010485e+03 1.20 1.520072639e+03 2.661978197e+03 3.115797209e+03 1.22 1.358960106e+03 2.395728228e+03 2.802378524e+03 1.24 1.215934838e+03 2.157152201e+03 2.525074087e+03 1.26 1.089382683e+03 1.943166134e+03 2.278922349e+03 1.28 9.778331064e+02 1.751604438e+03 2.060686964e+03 1.30 8.797305989e+02 1.580584237e+03 1.867843117e+03 1.32 7.934080380e+02 1.428330001e+03 1.697823130e+03 1.34 7.171365160e+02 1.293218891e+03 1.547707593e+03 1.36 6.492234979e+02 1.173697947e+03 1.414274856e+03 1.38 5.882251201e+02 1.068109129e+03 1.294338372e+03 1.40 5.331734506e+02 9.745774579e+02 1.185237765e+03 1.42 4.835295681e+02 8.910779981e+02 1.085232691e+03 1.44 4.389116020e+02 8.156705636e+02 9.934388763e+02 1.46 3.989528512e+02 7.467737552e+02 9.093380957e+02 1.48 3.632822079e+02 6.832944185e+02 8.324506448e+02 1.50 3.315170247e+02 6.245641493e+02 7.623033390e+02 1.52 3.032632214e+02 5.701938820e+02 6.984491142e+02 1.54 2.781180438e+02 5.199269997e+02 6.404616267e+02 1.56 2.556674146e+02 4.735751376e+02 5.878987987e+02 1.58 2.354875744e+02 4.309876111e+02 5.402623273e+02 1.60 2.171696942e+02 3.920161718e+02 4.969868307e+02 1.62 2.003693824e+02 3.564976913e+02 4.574668245e+02 1.64 1.848491139e+02 3.242538321e+02 4.211160915e+02 1.66 1.704700274e+02 2.950951793e+02 3.874450952e+02 1.68 1.571400974e+02 2.688262581e+02 3.561193024e+02 1.70 1.447788199e+02 2.452501045e+02 3.269507021e+02 1.72 1.333107409e+02 2.241710556e+02 2.998294622e+02 1.74 1.226647115e+02 2.053955728e+02 2.746686258e+02 1.76 1.127746540e+02 1.887322781e+02 2.513871813e+02 1.78 1.035828983e+02 1.739909772e+02 2.299074586e+02 1.80 9.504389410e+01 1.609786931e+02 2.101540097e+02 1.82 8.712520132e+01 1.494946595e+02 1.920503034e+02 1.84 7.980416104e+01 1.393306214e+02 1.755151237e+02 1.86 7.306143764e+01 1.302785360e+02 1.604616491e+02 1.88 6.687540186e+01 1.221402636e+02 1.467991951e+02 1.90 6.121972283e+01 1.147343905e+02 1.344361284e+02 1.92 5.606277198e+01 1.079023886e+02 1.232830669e+02 1.94 5.136748768e+01 1.015184639e+02 1.132554278e+02 1.96 4.709169553e+01 9.549693673e+01 1.042740145e+02 1.98 4.318915834e+01 8.978637419e+01 9.626264819e+01 2.00 3.961163166e+01 8.435307552e+01 8.914335951e+01 2.02 3.631205842e+01 7.916937546e+01 8.283170804e+01 2.04 3.324859257e+01 7.421195236e+01 7.723488489e+01 2.06 3.038835390e+01 6.946302076e+01 7.225285734e+01 2.08 2.770904352e+01 6.491077848e+01 6.778182377e+01 2.10 2.519703104e+01 6.054852960e+01 6.371999702e+01 2.12 2.284319069e+01 5.637275095e+01 5.997550833e+01 2.14 2.063999756e+01 5.238113437e+01 5.647474604e+01 2.16 1.858096060e+01 4.857154598e+01 5.316759346e+01 2.18 1.666065413e+01 4.494178563e+01 5.002584462e+01 2.20 1.487450040e+01 4.148955148e+01 4.703505418e+01 2.22 1.321832284e+01 3.821240003e+01 4.418591562e+01 2.24 1.168788279e+01 3.510770623e+01 4.147016632e+01 2.26 1.027861333e+01 3.217262445e+01 3.887963762e+01 2.28 8.985553702e+00 2.940405008e+01 3.640622753e+01 2.30 7.803354046e+00 2.679858598e+01 3.404213167e+01 2.32 6.726296133e+00 2.435251030e+01 3.178013361e+01 2.34 5.748333093e+00 2.206174881e+01 2.961390265e+01 2.36 4.863153216e+00 1.992185255e+01 2.753824585e+01 2.38 4.064270353e+00 1.792798218e+01 2.554924196e+01 2.40 3.345141983e+00 1.607490166e+01 2.364419307e+01 2.42 2.699311167e+00 1.435698009e+01 2.182137330e+01 2.44 2.120562700e+00 1.276820951e+01 2.007964304e+01 2.46 1.603075079e+00 1.130223810e+01 1.841808619e+01 2.48 1.141541038e+00 9.952422637e+00 1.683580575e+01 2.50 7.312250075e-01 8.711904786e+00 1.533186752e+01 2.52 3.679335322e-01 7.573712767e+00 1.390529720e+01 2.54 4.790173460e-02 6.530889585e+00 1.255507299e+01 2.56 -2.323576450e-01 5.576644952e+00 1.128011106e+01 2.58 -4.761652358e-01 4.704522280e+00 1.007925576e+01 2.60 -6.866930163e-01 3.908564028e+00 8.951267775e+00 2.62 -8.669110607e-01 3.183449298e+00 7.894813558e+00 2.64 -1.019522523e+00 2.524570400e+00 6.908455329e+00 2.66 -1.146913787e+00 1.928016192e+00 5.990642199e+00 2.68 -1.251122467e+00 1.390447571e+00 5.139702428e+00 2.70 -1.333829506e+00 9.088880871e-01 4.353837146e+00 2.72 -1.396384036e+00 4.804983954e-01 3.631115822e+00 2.74 -1.439867001e+00 1.024207061e-01 2.969473830e+00 2.76 -1.465192131e+00 -2.282663107e-01 2.366712488e+00 2.78 -1.473230520e+00 -5.145206937e-01 1.820501960e+00 2.80 -1.464930935e+00 -7.592985192e-01 1.328387450e+00 2.82 -1.441400814e+00 -9.655228778e-01 8.877990799e-01 2.84 -1.403924730e+00 -1.136058051e+00 4.960657868e-01 2.86 -1.353930000e+00 -1.273689938e+00 1.504335395e-01 2.88 -1.292938401e+00 -1.381116095e+00 -1.519119175e-01 2.90 -1.222534663e+00 -1.460948267e+00 -4.138184131e-01 2.92 -1.144350099e+00 -1.515728007e+00 -6.381366262e-01 2.94 -1.060048734e+00 -1.547952401e+00 -8.276870984e-01 2.96 -9.713112155e-01 -1.560101471e+00 -9.852261427e-01 2.98 -8.798159296e-01 -1.554654789e+00 -1.113413523e+00 3.00 -7.872173657e-01 -1.534085082e+00 -1.214784741e+00 3.02 -6.951218294e-01 -1.500824828e+00 -1.291731907e+00 3.04 -6.050607719e-01 -1.457214812e+00 -1.346496379e+00 3.06 -5.184621419e-01 -1.405450434e+00 -1.381175499e+00 3.08 -4.366203507e-01 -1.347534969e+00 -1.397742901e+00 3.10 -3.606656391e-01 -1.285240012e+00 -1.398077582e+00 3.12 -2.915338632e-01 -1.220073332e+00 -1.383992732e+00 3.14 -2.299379821e-01 -1.153257885e+00 -1.357253335e+00 3.16 -1.763428431e-01 -1.085727397e+00 -1.319575379e+00 3.18 -1.309452651e-01 -1.018143905e+00 -1.272609003e+00 3.20 -9.366193482e-02 -9.509406825e-01 -1.217916398e+00 3.22 -6.412827376e-02 -8.843889984e-01 -1.156954300e+00 3.24 -4.171213822e-02 -8.186786132e-01 -1.091063130e+00 3.26 -2.554670880e-02 -7.539919537e-01 -1.021461414e+00 3.28 -1.458662160e-02 -6.905474462e-01 -9.492454435e-01 3.30 -7.689223480e-03 -6.285987114e-01 -8.753949709e-01 3.32 -3.717437079e-03 -5.684042282e-01 -8.007854871e-01 3.34 -1.651283692e-03 -5.102023653e-01 -7.262068443e-01 3.36 -6.834179932e-04 -4.542109577e-01 -6.523867774e-01 3.38 -2.672405959e-04 -4.006415523e-01 -5.800162187e-01 3.40 -9.658728300e-05 -3.497144463e-01 -5.097714998e-01 3.42 -2.988700264e-05 -3.016678617e-01 -4.423272836e-01 3.44 -7.140591623e-06 -2.567572984e-01 -3.783544530e-01 3.46 -1.170058534e-06 -2.152432758e-01 -3.185003501e-01 3.48 -1.106046418e-07 -1.773694975e-01 -2.633546826e-01 3.50 -4.491199481e-09 -1.433374580e-01 -2.134105490e-01 3.52 -4.512594747e-11 -1.132845086e-01 -1.690315411e-01 3.54 -3.498470976e-14 -8.726885891e-02 -1.304304220e-01 3.56 -1.082750291e-19 -6.526037364e-02 -9.765773336e-02 3.58 -4.117230083e-32 -4.713513700e-02 -7.059714914e-02 3.60 -2.757815650e-86 -3.267366895e-02 -4.896710834e-02 3.62 0.000000000e+00 -2.156401170e-02 -3.233015044e-02 3.64 0.000000000e+00 -1.341125668e-02 -2.011185142e-02 3.66 0.000000000e+00 -7.754978473e-03 -1.163112638e-02 3.68 0.000000000e+00 -4.095418471e-03 -6.142840103e-03 3.70 0.000000000e+00 -1.927830117e-03 -2.891698369e-03 3.72 0.000000000e+00 -7.819511281e-04 -1.172921362e-03 3.74 0.000000000e+00 -2.603120519e-04 -3.904676999e-04 3.76 0.000000000e+00 -6.614885770e-05 -9.922327254e-05 3.78 0.000000000e+00 -1.146041510e-05 -1.719062244e-05 3.80 0.000000000e+00 -1.123699377e-06 -1.685549064e-06 3.82 0.000000000e+00 -4.481313773e-08 -6.721970660e-08 3.84 0.000000000e+00 -3.804942374e-10 -5.707413561e-10 3.86 0.000000000e+00 -1.590469208e-13 -2.385703812e-13 3.88 0.000000000e+00 -5.083738867e-20 -7.625608301e-20 3.90 0.000000000e+00 -1.248983543e-37 -1.873475315e-37 3.92 0.000000000e+00 -1.231028686e-263 -1.846543029e-263 3.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 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