# 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 = Se # 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 2.00 3.972126656e+01 1.794592409e+01 3.310593337e+01 3.972686053e+01 3.973245106e+01 7.606381737e+00 1.887283146e+01 3.507671433e+01 8.536443281e+00 1.846407297e+01 2.02 3.731216326e+01 1.656934207e+01 3.098934895e+01 3.731660446e+01 3.732104906e+01 6.889945448e+00 1.744118436e+01 3.287787647e+01 7.682173239e+00 1.704575301e+01 2.04 3.503383464e+01 1.527589921e+01 2.899040819e+01 3.503714049e+01 3.504045370e+01 6.219979401e+00 1.609468518e+01 3.079987088e+01 6.885180157e+00 1.571281215e+01 2.06 3.287897875e+01 1.406081337e+01 2.710254717e+01 3.288122356e+01 3.288347576e+01 5.593469694e+00 1.482848236e+01 2.883549616e+01 6.142013635e+00 1.445986660e+01 2.08 3.084051852e+01 1.291952897e+01 2.531948610e+01 3.084189884e+01 3.084328280e+01 5.007641812e+00 1.363813640e+01 2.697798157e+01 5.449464276e+00 1.328157518e+01 2.10 2.891156769e+01 1.184774000e+01 2.363525012e+01 2.891245808e+01 2.891334610e+01 4.459996434e+00 1.251953357e+01 2.522136385e+01 4.804568227e+00 1.217296645e+01 2.12 2.708566045e+01 1.084150739e+01 2.204435940e+01 2.708659154e+01 2.708751340e+01 3.948378415e+00 1.146864700e+01 2.356006631e+01 4.204601685e+00 1.112990614e+01 2.14 2.535663259e+01 9.897097917e+00 2.054162777e+01 2.535827496e+01 2.535990007e+01 3.471041202e+00 1.048151360e+01 2.198886990e+01 3.647037109e+00 1.014875702e+01 2.16 2.371959890e+01 9.011510946e+00 1.912278075e+01 2.372247205e+01 2.372531805e+01 3.026588714e+00 9.554285887e+00 2.050323478e+01 3.129444236e+00 9.227114562e+00 2.18 2.216978086e+01 8.181652218e+00 1.778315872e+01 2.217422036e+01 2.217862133e+01 2.613644543e+00 8.683377766e+00 1.909879911e+01 2.649380024e+00 8.361867646e+00 2.20 2.070273237e+01 7.404555087e+00 1.651788486e+01 2.070879848e+01 2.071481542e+01 2.230346813e+00 7.865654458e+00 1.777147718e+01 2.204397218e+00 7.549889942e+00 2.22 1.931429715e+01 6.677361206e+00 1.532215440e+01 1.932178286e+01 1.932921153e+01 1.874202396e+00 7.098230736e+00 1.651743407e+01 1.792161825e+00 6.788225766e+00 2.24 1.800059215e+01 5.997231176e+00 1.419163046e+01 1.800909900e+01 1.801754477e+01 1.542805272e+00 6.378899395e+00 1.533304992e+01 1.410480582e+00 6.074086638e+00 2.26 1.675798499e+01 5.361478918e+00 1.312291043e+01 1.676715884e+01 1.677626977e+01 1.233653009e+00 5.705145107e+00 1.421487904e+01 1.057483576e+00 5.404852108e+00 2.28 1.558306055e+01 4.766880241e+00 1.211298403e+01 1.559256596e+01 1.560200935e+01 9.454508674e-01 5.074513144e+00 1.315960622e+01 7.314964562e-01 4.778075278e+00 2.30 1.447257708e+01 4.211528485e+00 1.115901764e+01 1.448209934e+01 1.449156394e+01 6.770308361e-01 4.484676185e+00 1.216399689e+01 4.309741563e-01 4.191494931e+00 2.32 1.342341403e+01 3.693165912e+00 1.025832679e+01 1.343266470e+01 1.344186594e+01 4.273073609e-01 3.933428658e+00 1.122484867e+01 1.544608216e-01 3.643051423e+00 2.34 1.243252446e+01 3.209736657e+00 9.408369490e+00 1.244125244e+01 1.244994273e+01 1.952733942e-01 3.418681523e+00 1.033899023e+01 -9.954747605e-02 3.130898444e+00 2.36 1.149690603e+01 2.759261504e+00 8.606738810e+00 1.150491122e+01 1.151289240e+01 -2.000489194e-02 2.938457185e+00 9.503361528e+00 -3.326066121e-01 2.653391013e+00 2.38 1.061358963e+01 2.339913579e+00 7.851154097e+00 1.062073577e+01 1.062787091e+01 -2.193960254e-01 2.490884450e+00 8.715052829e+00 -5.462355630e-01 2.209019720e+00 2.40 9.779622510e+00 1.950091874e+00 7.139449548e+00 9.785848693e+00 9.792073459e+00 -4.037154216e-01 2.074192501e+00 7.971445839e+00 -7.418706931e-01 1.796269945e+00 2.42 8.992053179e+00 1.588259164e+00 6.469560237e+00 8.997384043e+00 9.002718182e+00 -5.737419672e-01 1.686704552e+00 7.270112623e+00 -9.206807971e-01 1.413446553e+00 2.44 8.248015231e+00 1.252903208e+00 5.839506163e+00 8.252559471e+00 8.257107247e+00 -7.302391089e-01 1.326829521e+00 6.608276572e+00 -1.083697456e+00 1.058591377e+00 2.46 7.544910820e+00 9.425542043e-01 5.247377859e+00 7.548837463e+00 7.552764942e+00 -8.739759601e-01 9.930524748e-01 5.984504134e+00 -1.231870007e+00 7.296802520e-01 2.48 6.880631294e+00 6.558101339e-01 4.691329272e+00 6.884118277e+00 6.887602243e+00 -1.005740527e+00 6.839233149e-01 5.396991894e+00 -1.366059275e+00 4.247615534e-01 2.50 6.253635450e+00 3.913604146e-01 4.169580649e+00 6.256808677e+00 6.259975387e+00 -1.126336309e+00 3.980439505e-01 4.844049062e+00 -1.487034207e+00 1.420949555e-01 2.52 5.662225818e+00 1.479863189e-01 3.680424479e+00 5.665190666e+00 5.668145913e+00 -1.236560430e+00 1.340549896e-01 4.324056730e+00 -1.595481115e+00 -1.195576826e-01 2.54 5.104776158e+00 -7.547838674e-02 3.222212815e+00 5.107617661e+00 5.110447044e+00 -1.337178937e+00 -1.093743279e-01 3.835464737e+00 -1.686438559e+00 -3.613761582e-01 2.56 4.579727888e+00 -2.801493175e-01 2.793314588e+00 4.582508715e+00 4.585275625e+00 -1.428918153e+00 -3.335424670e-01 3.376788299e+00 -1.762874200e+00 -5.844852695e-01 2.58 4.085587453e+00 -4.670933344e-01 2.392085171e+00 4.088344701e+00 4.091087017e+00 -1.512457581e+00 -5.396356422e-01 2.946604836e+00 -1.829427081e+00 -7.899577264e-01 2.60 3.620923407e+00 -6.373302882e-01 2.016954272e+00 3.623673031e+00 3.626407382e+00 -1.588348446e+00 -7.289523390e-01 2.543550980e+00 -1.886756471e+00 -9.788169869e-01 2.62 3.184363692e+00 -7.918347851e-01 1.666324447e+00 3.187093588e+00 3.189808446e+00 -1.657235288e+00 -9.023581953e-01 2.166319299e+00 -1.935757340e+00 -1.152039906e+00 2.64 2.774593214e+00 -9.315377186e-01 1.339089918e+00 2.777303504e+00 2.779999056e+00 -1.719173325e+00 -1.060801472e+00 1.813655847e+00 -1.977208155e+00 -1.310558883e+00 2.66 2.390351283e+00 -1.057327848e+00 1.034096551e+00 2.393041323e+00 2.395716923e+00 -1.774499514e+00 -1.205168979e+00 1.484358516e+00 -2.011859095e+00 -1.455263677e+00 2.68 2.030429151e+00 -1.170053243e+00 7.502580506e-01 2.033098672e+00 2.035754064e+00 -1.823547888e+00 -1.336297621e+00 1.177277116e+00 -2.040325841e+00 -1.587002489e+00 2.70 1.693667436e+00 -1.270522692e+00 4.865308838e-01 1.696316533e+00 1.698951804e+00 -1.866640082e+00 -1.454971646e+00 8.913158795e-01 -2.063219901e+00 -1.706581984e+00 2.72 1.378953491e+00 -1.359507046e+00 2.419127646e-01 1.381582540e+00 1.384198056e+00 -1.904085765e+00 -1.561917027e+00 6.254373689e-01 -2.081099869e+00 -1.814765747e+00 2.74 1.085218740e+00 -1.437740448e+00 1.544124854e-02 1.087828264e+00 1.090424551e+00 -1.936183040e+00 -1.657792626e+00 3.786643952e-01 -2.094401133e+00 -1.912270405e+00 2.76 8.114358101e-01 -1.505921544e+00 -1.938077164e-01 8.140262734e-01 8.166038046e-01 -1.963218844e+00 -1.743179499e+00 1.500727101e-01 -2.103377672e+00 -1.999758643e+00 2.78 5.566159757e-01 -1.564714638e+00 -3.867212162e-01 5.591874927e-01 5.617463726e-01 -1.985469377e+00 -1.818573180e+00 -6.122974872e-02 -2.108112047e+00 -2.077828235e+00 2.80 3.198081596e-01 -1.614750718e+00 -5.641505629e-01 3.223600703e-01 3.248996398e-01 -2.003200411e+00 -1.884388695e+00 -2.561302463e-01 -2.108627055e+00 -2.146996740e+00 2.82 1.001003905e-01 -1.656628441e+00 -7.269124743e-01 1.026308078e-01 1.051491856e-01 -2.016667611e+00 -1.940991796e+00 -4.354997702e-01 -2.105045185e+00 -2.207683798e+00 2.84 -1.033743972e-01 -1.690915093e+00 -8.757904362e-01 -1.008690214e-01 -9.837538918e-02 -2.026116928e+00 -1.988764234e+00 -6.002818311e-01 -2.097640893e+00 -2.260196413e+00 2.86 -2.914265712e-01 -1.718147379e+00 -1.011535709e+00 -2.889516817e-01 -2.864882338e-01 -2.031784870e+00 -2.028188219e+00 -7.512333112e-01 -2.086831985e+00 -2.304727417e+00 2.88 -4.647942971e-01 -1.738832175e+00 -1.134868413e+00 -4.623570183e-01 -4.599308745e-01 -2.033898773e+00 -2.059901544e+00 -8.891415426e-01 -2.073022604e+00 -2.341381124e+00 2.90 -6.241323413e-01 -1.753447228e+00 -1.246478655e+00 -6.217406824e-01 -6.193598558e-01 -2.032677128e+00 -2.084633375e+00 -1.014633779e+00 -2.056506147e+00 -2.370236365e+00 2.92 -7.700199450e-01 -1.762441721e+00 -1.347027471e+00 -7.676814994e-01 -7.653535871e-01 -2.028329827e+00 -2.103137339e+00 -1.128276670e+00 -2.037475907e+00 -2.391441278e+00 2.94 -9.030025388e-01 -1.766236768e+00 -1.437147835e+00 -9.007231173e-01 -8.984539331e-01 -2.021058416e+00 -2.116147912e+00 -1.230606613e+00 -2.016110758e+00 -2.405312240e+00 2.96 -1.023662410e+00 -1.765225877e+00 -1.517445595e+00 -1.021445262e+00 -1.019238060e+00 -2.011056367e+00 -2.124169876e+00 -1.322180281e+00 -1.992575174e+00 -2.412394267e+00 2.98 -1.132679300e+00 -1.759775316e+00 -1.588500359e+00 -1.130525301e+00 -1.128380960e+00 -1.998509290e+00 -2.127544724e+00 -1.403617989e+00 -1.967019227e+00 -2.413444883e+00 3.00 -1.230802696e+00 -1.750224491e+00 -1.650866397e+00 -1.228711219e+00 -1.226629120e+00 -1.983595177e+00 -2.126597647e+00 -1.475585727e+00 -1.939578730e+00 -2.409279414e+00 3.02 -1.318818779e+00 -1.736886393e+00 -1.705073459e+00 -1.316788583e+00 -1.314767490e+00 -1.966484617e+00 -2.121638687e+00 -1.538764139e+00 -1.910375563e+00 -2.400702556e+00 3.04 -1.397506667e+00 -1.720048181e+00 -1.751627610e+00 -1.395536373e+00 -1.393574913e+00 -1.947341007e+00 -2.112964160e+00 -1.593835832e+00 -1.879518376e+00 -2.388469677e+00 3.06 -1.467498468e+00 -1.699972103e+00 -1.791011985e+00 -1.465586714e+00 -1.463683532e+00 -1.926320750e+00 -2.100858423e+00 -1.641366202e+00 -1.847103894e+00 -2.373055234e+00 3.08 -1.529289100e+00 -1.676896955e+00 -1.823687624e+00 -1.527434545e+00 -1.525588305e+00 -1.903573459e+00 -2.085596065e+00 -1.681816734e+00 -1.813219157e+00 -2.354689296e+00 3.10 -1.583353465e+00 -1.651040423e+00 -1.850094147e+00 -1.581554788e+00 -1.579764174e+00 -1.879242126e+00 -2.067444438e+00 -1.715629081e+00 -1.777945111e+00 -2.333591975e+00 3.12 -1.630147082e+00 -1.622602711e+00 -1.870650575e+00 -1.628402980e+00 -1.626666697e+00 -1.853463327e+00 -2.046666442e+00 -1.743225679e+00 -1.741362143e+00 -2.309973750e+00 3.14 -1.670106605e+00 -1.591772046e+00 -1.885756033e+00 -1.668415797e+00 -1.666732569e+00 -1.826367382e+00 -2.023523005e+00 -1.765010286e+00 -1.703558115e+00 -2.284035699e+00 3.16 -1.703650319e+00 -1.558732554e+00 -1.895790501e+00 -1.702011543e+00 -1.700380115e+00 -1.798078491e+00 -1.998274385e+00 -1.781368460e+00 -1.664639480e+00 -2.255969725e+00 3.18 -1.731178731e+00 -1.523675137e+00 -1.901115663e+00 -1.729590746e+00 -1.728009880e+00 -1.768714937e+00 -1.971178939e+00 -1.792668056e+00 -1.624745775e+00 -2.225958852e+00 3.20 -1.753074999e+00 -1.486811253e+00 -1.902075717e+00 -1.751536582e+00 -1.750005062e+00 -1.738389200e+00 -1.942487374e+00 -1.799259725e+00 -1.584066745e+00 -2.194177400e+00 3.22 -1.769705407e+00 -1.448388935e+00 -1.898998362e+00 -1.768215356e+00 -1.766731986e+00 -1.707208094e+00 -1.912430920e+00 -1.801477275e+00 -1.542859950e+00 -2.160791211e+00 3.24 -1.781419824e+00 -1.408708145e+00 -1.892195883e+00 -1.779976958e+00 -1.778540560e+00 -1.675272906e+00 -1.881203118e+00 -1.799638126e+00 -1.501463868e+00 -2.125957852e+00 3.26 -1.788552121e+00 -1.368130129e+00 -1.881966484e+00 -1.787155276e+00 -1.785764695e+00 -1.642679504e+00 -1.848938202e+00 -1.794043653e+00 -1.460298094e+00 -2.089826792e+00 3.28 -1.791420559e+00 -1.327071697e+00 -1.868595812e+00 -1.790068595e+00 -1.788722692e+00 -1.609518445e+00 -1.815693986e+00 -1.784979513e+00 -1.419839443e+00 -2.052539565e+00 3.30 -1.790328161e+00 -1.285973122e+00 -1.852358839e+00 -1.789019956e+00 -1.787717617e+00 -1.575875053e+00 -1.781451298e+00 -1.772715940e+00 -1.380563819e+00 -2.014229915e+00 3.32 -1.785563052e+00 -1.245230793e+00 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