# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Zhou-X-W-Foster-M-E-van-Swol-F-B-et-al--Cd-Te-Se # implementation = 2014--Zhou-X-W--Cd-Te-Se--LAMMPS--ipr1 # composition = CdTe3 # 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 2.00 2.731308019e+01 4.830314290e+01 5.748179160e+01 2.02 2.539326573e+01 4.538267434e+01 5.415163396e+01 2.04 2.358705877e+01 4.262303219e+01 5.100184969e+01 2.06 2.188837163e+01 4.001540360e+01 4.802258567e+01 2.08 2.029139599e+01 3.755155194e+01 4.520450369e+01 2.10 1.879052246e+01 3.522370855e+01 4.253860890e+01 2.12 1.738027621e+01 3.302444079e+01 4.001599331e+01 2.14 1.605526355e+01 3.094652577e+01 3.762774390e+01 2.16 1.481006790e+01 2.898288749e+01 3.536470048e+01 2.18 1.363973178e+01 2.712667073e+01 3.321842033e+01 2.20 1.253987568e+01 2.537143353e+01 3.118152698e+01 2.22 1.150713295e+01 2.371136482e+01 2.924874796e+01 2.24 1.053791356e+01 2.214026468e+01 2.741472782e+01 2.26 9.630074143e+00 2.065323671e+01 2.567752905e+01 2.28 8.779588654e+00 1.924435380e+01 2.403234768e+01 2.30 7.982212808e+00 1.790869906e+01 2.247468360e+01 2.32 7.233715929e+00 1.664295823e+01 2.100032935e+01 2.34 6.530322314e+00 1.544354772e+01 1.960534614e+01 2.36 5.869206202e+00 1.430986705e+01 1.828602903e+01 2.38 5.248481628e+00 1.323869527e+01 1.703885591e+01 2.40 4.666906477e+00 1.222705519e+01 1.586041374e+01 2.42 4.123923910e+00 1.127216836e+01 1.474730259e+01 2.44 3.617506757e+00 1.037141647e+01 1.369602850e+01 2.46 3.145716286e+00 9.522397918e+00 1.270291823e+01 2.48 2.706722639e+00 8.722788946e+00 1.176411282e+01 2.50 2.298688414e+00 7.970343425e+00 1.087570694e+01 2.52 1.919999211e+00 7.262902055e+00 1.003406428e+01 2.54 1.569044390e+00 6.598354743e+00 9.236228254e+00 2.56 1.244313516e+00 5.974593717e+00 8.480826453e+00 2.58 9.443717416e-01 5.389463082e+00 7.764169053e+00 2.60 6.678411173e-01 4.840718189e+00 7.087893276e+00 2.62 4.134452282e-01 4.326085536e+00 6.449951086e+00 2.64 1.799217346e-01 3.842999859e+00 5.848544802e+00 2.66 -3.393491188e-02 3.389324287e+00 5.281992105e+00 2.68 -2.292756944e-01 2.963026731e+00 4.748708936e+00 2.70 -4.071988835e-01 2.562541038e+00 4.247150629e+00 2.72 -5.687520909e-01 2.186979939e+00 3.775953491e+00 2.74 -7.149340057e-01 1.834750475e+00 3.333714857e+00 2.76 -8.466962484e-01 1.506332264e+00 2.919072093e+00 2.78 -9.649450297e-01 1.200508886e+00 2.530722366e+00 2.80 -1.070542750e+00 9.161478617e-01 2.167419910e+00 2.82 -1.164309667e+00 6.521624156e-01 1.827973205e+00 2.84 -1.247025253e+00 4.075099704e-01 1.511241865e+00 2.86 -1.319429767e+00 1.811905905e-01 1.216132970e+00 2.88 -1.382225519e+00 -2.775462039e-02 9.415963647e-01 2.90 -1.436078251e+00 -2.202448909e-01 6.866194774e-01 2.92 -1.481618297e+00 -3.971611247e-01 4.502216035e-01 2.94 -1.519441802e+00 -5.593473060e-01 2.314479829e-01 2.96 -1.550111806e+00 -7.076117316e-01 2.936521748e-02 2.98 -1.574159210e+00 -8.427282184e-01 -1.569411197e-01 3.00 -1.592083784e+00 -9.654373833e-01 -3.283651118e-01 3.02 -1.604354948e+00 -1.076447652e+00 -4.857742833e-01 3.04 -1.611412580e+00 -1.176436461e+00 -6.299834300e-01 3.06 -1.613667700e+00 -1.266051298e+00 -7.618260711e-01 3.08 -1.611503022e+00 -1.345910676e+00 -8.819936808e-01 3.10 -1.605273553e+00 -1.416605172e+00 -9.911815951e-01 3.12 -1.595307009e+00 -1.478698329e+00 -1.090028452e+00 3.14 -1.581904337e+00 -1.532727618e+00 -1.179025700e+00 3.16 -1.565340195e+00 -1.579205287e+00 -1.259045983e+00 3.18 -1.545863616e+00 -1.618619184e+00 -1.330216334e+00 3.20 -1.523698909e+00 -1.651433607e+00 -1.393120014e+00 3.22 -1.499047063e+00 -1.678090052e+00 -1.448249252e+00 3.24 -1.472087831e+00 -1.699007964e+00 -1.496075277e+00 3.26 -1.442982928e+00 -1.714585482e+00 -1.537048965e+00 3.28 -1.411880735e+00 -1.725200095e+00 -1.571601462e+00 3.30 -1.378922957e+00 -1.731209341e+00 -1.600144763e+00 3.32 -1.344253800e+00 -1.732951493e+00 -1.623072350e+00 3.34 -1.308031788e+00 -1.730746194e+00 -1.640759687e+00 3.36 -1.270444140e+00 -1.724895191e+00 -1.653564823e+00 3.38 -1.231722455e+00 -1.715683065e+00 -1.661828883e+00 3.40 -1.192157302e+00 -1.703378100e+00 -1.665876632e+00 3.42 -1.152107251e+00 -1.688233186e+00 -1.666016878e+00 3.44 -1.111996165e+00 -1.670487034e+00 -1.662543016e+00 3.46 -1.072291754e+00 -1.650365561e+00 -1.655733466e+00 3.48 -1.033460184e+00 -1.628083598e+00 -1.645852062e+00 3.50 -9.958985639e-01 -1.603847002e+00 -1.633148504e+00 3.52 -9.598601126e-01 -1.577855068e+00 -1.617858712e+00 3.54 -9.254019540e-01 -1.550303257e+00 -1.600205184e+00 3.56 -8.923887112e-01 -1.521385877e+00 -1.580397332e+00 3.58 -8.605607215e-01 -1.491298235e+00 -1.558631777e+00 3.60 -8.296324338e-01 -1.460237410e+00 -1.535092583e+00 3.62 -7.990459107e-01 -1.428400565e+00 -1.509951538e+00 3.64 -7.696840285e-01 -1.395979452e+00 -1.483368281e+00 3.66 -7.403874445e-01 -1.363150503e+00 -1.455490501e+00 3.68 -7.113323023e-01 -1.330060829e+00 -1.426454007e+00 3.70 -6.825399365e-01 -1.296812964e+00 -1.396382784e+00 3.72 -6.540358330e-01 -1.263453558e+00 -1.365388993e+00 3.74 -6.258513956e-01 -1.229972657e+00 -1.333572907e+00 3.76 -5.980257141e-01 -1.196318274e+00 -1.301022807e+00 3.78 -5.706071341e-01 -1.162424597e+00 -1.267814793e+00 3.80 -5.436543134e-01 -1.128243869e+00 -1.234012551e+00 3.82 -5.172363612e-01 -1.093767018e+00 -1.199667083e+00 3.84 -4.914314835e-01 -1.058887270e+00 -1.164816358e+00 3.86 -4.663235468e-01 -1.024017338e+00 -1.129484980e+00 3.88 -4.419960177e-01 -9.888270816e-01 -1.093683837e+00 3.90 -4.185229915e-01 -9.534942317e-01 -1.057409770e+00 3.92 -3.959577512e-01 -9.179821089e-01 -1.020645419e+00 3.94 -3.743200676e-01 -8.822464053e-01 -9.833591871e-01 3.96 -3.535846170e-01 -8.462359307e-01 -9.455055895e-01 3.98 -3.336736341e-01 -8.098866664e-01 -9.070260252e-01 4.00 -3.144569242e-01 -7.731525363e-01 -8.678502979e-01 4.02 -2.957611417e-01 -7.359486098e-01 -8.278991248e-01 4.04 -2.773879711e-01 -6.981905445e-01 -7.870880012e-01 4.06 -2.591381444e-01 -6.598242525e-01 -7.453328741e-01 4.08 -2.408364934e-01 -6.207870362e-01 -7.025581794e-01 4.10 -2.223530959e-01 -5.810251421e-01 -6.587078103e-01 4.12 -2.035887031e-01 -5.405162563e-01 -6.137596591e-01 4.14 -1.846217526e-01 -4.992856989e-01 -5.677442208e-01 4.16 -1.654414119e-01 -4.574261806e-01 -5.207675496e-01 4.18 -1.461901744e-01 -4.151203523e-01 -4.730381505e-01 4.20 -1.270823797e-01 -3.726637871e-01 -4.248960128e-01 4.22 -1.083758449e-01 -3.304832132e-01 -3.768393200e-01 4.24 -9.037759713e-02 -2.891406903e-01 -3.295394166e-01 4.26 -7.342368335e-02 -2.493110709e-01 -2.838282490e-01 4.28 -5.784888673e-02 -2.117232338e-01 -2.406395399e-01 4.30 -4.395065165e-02 -1.770727873e-01 -2.008980796e-01 4.32 -3.195349428e-02 -1.459403402e-01 -1.653870519e-01 4.34 -2.197917469e-02 -1.187516750e-01 -1.346482852e-01 4.36 -1.402509002e-02 -9.576133691e-02 -1.089242736e-01 4.38 -7.957150227e-03 -7.698180334e-02 -8.807522268e-02 4.40 -3.575499036e-03 -6.204405256e-02 -7.147886514e-02 4.42 -9.190114869e-04 -5.015620067e-02 -5.811865230e-02 4.44 6.364000704e-06 -4.025899722e-02 -4.682592680e-02 4.46 0.000000000e+00 -3.199878301e-02 -3.736797296e-02 4.48 0.000000000e+00 -2.459376197e-02 -2.889372213e-02 4.50 0.000000000e+00 -1.810900882e-02 -2.149828861e-02 4.52 0.000000000e+00 -1.255034598e-02 -1.517847861e-02 4.54 0.000000000e+00 -7.935108556e-03 -9.911092470e-03 4.56 0.000000000e+00 -4.348050545e-03 -5.706705391e-03 4.58 0.000000000e+00 -1.924947844e-03 -2.678357739e-03 4.60 0.000000000e+00 3.632786361e-05 5.450556266e-05 4.62 0.000000000e+00 1.580144813e-05 2.370283254e-05 4.64 0.000000000e+00 3.625515834e-06 5.438276028e-06 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00