# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Hale-L-M-Wong-B-M-Zimmerman-J-A-Zhou-X-W--Pd-Ag-H-Hybrid # implementation = 2013--Hale-L-M--Pd-Ag-H-Hybrid--LAMMPS--ipr1 # composition = Ag3H # 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 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 1.623745484e+02 nan nan 0.96 1.503937847e+02 nan nan 0.98 1.393988345e+02 nan nan 1.00 1.292741809e+02 nan nan 1.02 1.199673307e+02 nan nan 1.04 1.113951892e+02 1.541786372e+02 nan 1.06 1.034857556e+02 1.436789960e+02 1.600664449e+02 1.08 9.619623388e+01 1.341019822e+02 1.494428949e+02 1.10 8.948624920e+01 1.252543274e+02 1.396606508e+02 1.12 8.325804375e+01 1.169916682e+02 1.305916442e+02 1.14 7.749523916e+01 1.093357545e+02 1.221240392e+02 1.16 7.220415378e+01 1.022838842e+02 1.142977542e+02 1.18 6.729284891e+01 9.571445723e+01 1.070349263e+02 1.20 6.270657769e+01 8.954891337e+01 1.002480567e+02 1.22 5.848068342e+01 8.378479904e+01 9.395732917e+01 1.24 5.456536663e+01 7.843660915e+01 8.815279309e+01 1.26 5.090512822e+01 7.348147802e+01 8.273569978e+01 1.28 4.747553495e+01 6.885552838e+01 7.763952425e+01 1.30 4.431376137e+01 6.450818277e+01 7.287705079e+01 1.32 4.139860669e+01 6.043273022e+01 6.849099008e+01 1.34 3.868474031e+01 5.663164404e+01 6.441035340e+01 1.36 3.614092191e+01 5.310272168e+01 6.056473305e+01 1.38 3.376808562e+01 4.986093896e+01 5.691862524e+01 1.40 3.157699895e+01 4.687951437e+01 5.349961867e+01 1.42 2.957100024e+01 4.409095489e+01 5.030875184e+01 1.44 2.771651579e+01 4.144698288e+01 4.733408934e+01 1.46 2.598270032e+01 3.894450229e+01 4.454781340e+01 1.48 2.435041349e+01 3.659647366e+01 4.192901894e+01 1.50 2.282434383e+01 3.439285257e+01 3.946366333e+01 1.52 2.139675266e+01 3.232467890e+01 3.715223456e+01 1.54 2.005274497e+01 3.038500177e+01 3.498677822e+01 1.56 1.876838581e+01 2.857091685e+01 3.296228525e+01 1.58 1.752475582e+01 2.689285999e+01 3.109031353e+01 1.60 1.632141525e+01 2.533128128e+01 2.934841984e+01 1.62 1.515832212e+01 2.386290342e+01 2.771010777e+01 1.64 1.403881046e+01 2.247060798e+01 2.615116484e+01 1.66 1.296938461e+01 2.114744799e+01 2.466067440e+01 1.68 1.195001669e+01 1.989706688e+01 2.324925160e+01 1.70 1.097986445e+01 1.870622545e+01 2.191447154e+01 1.72 1.005828471e+01 1.755821958e+01 2.065326102e+01 1.74 9.189665898e+00 1.644888227e+01 1.944339536e+01 1.76 8.386363272e+00 1.537968666e+01 1.826607103e+01 1.78 7.634962596e+00 1.435264245e+01 1.714374947e+01 1.80 6.919689633e+00 1.336834740e+01 1.608190258e+01 1.82 6.228425940e+00 1.243269983e+01 1.506575579e+01 1.84 5.555391490e+00 1.154838245e+01 1.408171609e+01 1.86 4.909871015e+00 1.070935238e+01 1.312131213e+01 1.88 4.298340940e+00 9.916098528e+00 1.218527213e+01 1.90 3.718283386e+00 9.157118709e+00 1.129162867e+01 1.92 3.168592754e+00 8.422000820e+00 1.044261524e+01 1.94 2.649533836e+00 7.710587961e+00 9.634992391e+00 1.96 2.161301492e+00 7.022223381e+00 8.867709859e+00 1.98 1.703622274e+00 6.356454318e+00 8.139817510e+00 2.00 1.275370640e+00 5.719827071e+00 7.449792758e+00 2.02 8.745402474e-01 5.112300522e+00 6.795841626e+00 2.04 5.020223939e-01 4.532999982e+00 6.175388440e+00 2.06 1.650383787e-01 3.982347779e+00 5.585442098e+00 2.08 -1.404320535e-01 3.460612264e+00 5.024286977e+00 2.10 -4.204663109e-01 2.967085008e+00 4.496270865e+00 2.12 -6.804498687e-01 2.501333226e+00 4.002675128e+00 2.14 -9.241580684e-01 2.062454215e+00 3.537204271e+00 2.16 -1.153277388e+00 1.648892437e+00 3.093626282e+00 2.18 -1.363780976e+00 1.259568148e+00 2.666784087e+00 2.20 -1.551749142e+00 8.933149390e-01 2.253193350e+00 2.22 -1.718333080e+00 5.490018547e-01 1.851706876e+00 2.24 -1.865091764e+00 2.257801943e-01 1.467721022e+00 2.26 -1.993431737e+00 -7.703928449e-02 1.102439932e+00 2.28 -2.105035772e+00 -3.600193692e-01 7.547467326e-01 2.30 -2.201858266e+00 -6.236291096e-01 4.240827765e-01 2.32 -2.285861932e+00 -8.682876295e-01 1.106116623e-01 2.34 -2.358323409e+00 -1.093576766e+00 -1.853545462e-01 2.36 -2.420292061e+00 -1.298249864e+00 -4.634779808e-01 2.38 -2.472520325e+00 -1.483848930e+00 -7.235002738e-01 2.40 -2.515637555e+00 -1.652262383e+00 -9.653502879e-01 2.42 -2.550242600e+00 -1.805413499e+00 -1.189424271e+00 2.44 -2.576918021e+00 -1.943569646e+00 -1.395900957e+00 2.46 -2.596244551e+00 -2.062422370e+00 -1.585032655e+00 2.48 -2.608807485e+00 -2.164603395e+00 -1.757284226e+00 2.50 -2.615186301e+00 -2.252396360e+00 -1.913324608e+00 2.52 -2.615929482e+00 -2.329051014e+00 -2.053980713e+00 2.54 -2.611450340e+00 -2.397882685e+00 -2.180069663e+00 2.56 -2.602005643e+00 -2.461281285e+00 -2.292256165e+00 2.58 -2.588023353e+00 -2.520423001e+00 -2.391223747e+00 2.60 -2.567888672e+00 -2.573877735e+00 -2.477652719e+00 2.62 -2.540894143e+00 -2.617838647e+00 -2.552173688e+00 2.64 -2.508660128e+00 -2.652571014e+00 -2.615370528e+00 2.66 -2.472871969e+00 -2.678544000e+00 -2.667754474e+00 2.68 -2.435075841e+00 -2.696155026e+00 -2.709807799e+00 2.70 -2.396391864e+00 -2.705859073e+00 -2.739787148e+00 2.72 -2.357687857e+00 -2.708201181e+00 -2.754207777e+00 2.74 -2.319499438e+00 -2.703835885e+00 -2.755686469e+00 2.76 -2.281352628e+00 -2.693520044e+00 -2.747477194e+00 2.78 -2.241635470e+00 -2.678085363e+00 -2.732912466e+00 2.80 -2.200569622e+00 -2.658398589e+00 -2.715088028e+00 2.82 -2.158328677e+00 -2.635195327e+00 -2.696598558e+00 2.84 -2.115003083e+00 -2.609154930e+00 -2.679193127e+00 2.86 -2.070809479e+00 -2.580736603e+00 -2.663459189e+00 2.88 -2.025968845e+00 -2.550290722e+00 -2.646557264e+00 2.90 -1.980733941e+00 -2.518131904e+00 -2.626758511e+00 2.92 -1.935376506e+00 -2.484546971e+00 -2.604291143e+00 2.94 -1.889896560e+00 -2.449782988e+00 -2.579196722e+00 2.96 -1.844521734e+00 -2.414035715e+00 -2.551582960e+00 2.98 -1.799547314e+00 -2.377446337e+00 -2.521665582e+00 3.00 -1.755012198e+00 -2.340109062e+00 -2.489700716e+00 3.02 -1.711160649e+00 -2.302086219e+00 -2.455974990e+00 3.04 -1.668189031e+00 -2.263423730e+00 -2.420786769e+00 3.06 -1.626203580e+00 -2.224163882e+00 -2.384425611e+00 3.08 -1.585226383e+00 -2.184353681e+00 -2.347154233e+00 3.10 -1.545163828e+00 -2.144006319e+00 -2.309135234e+00 3.12 -1.505715911e+00 -2.102778458e+00 -2.270260807e+00 3.14 -1.466814023e+00 -2.060734518e+00 -2.230651264e+00 3.16 -1.428436046e+00 -2.018105691e+00 -2.190472299e+00 3.18 -1.390575124e+00 -1.975142308e+00 -2.149898193e+00 3.20 -1.353238040e+00 -1.932088841e+00 -2.109106104e+00 3.22 -1.316442455e+00 -1.889163569e+00 -2.068265470e+00 3.24 -1.280210961e+00 -1.846543487e+00 -2.027524484e+00 3.26 -1.244564601e+00 -1.804356009e+00 -1.986997635e+00 3.28 -1.209522091e+00 -1.762670204e+00 -1.946758722e+00 3.30 -1.175099980e+00 -1.721259864e+00 -1.906841902e+00 3.32 -1.141312741e+00 -1.680056607e+00 -1.867250130e+00 3.34 -1.108172830e+00 -1.639143054e+00 -1.827967630e+00 3.36 -1.075690664e+00 -1.598611019e+00 -1.788972347e+00 3.38 -1.043874583e+00 -1.558558947e+00 -1.750245480e+00 3.40 -1.012730952e+00 -1.519086143e+00 -1.711777063e+00 3.42 -9.822642863e-01 -1.480284334e+00 -1.673568013e+00 3.44 -9.524773799e-01 -1.442228267e+00 -1.635629798e+00 3.46 -9.233714215e-01 -1.404967980e+00 -1.597982814e+00 3.48 -8.949461116e-01 -1.368525212e+00 -1.560654122e+00 3.50 -8.671997730e-01 -1.332895067e+00 -1.523672607e+00 3.52 -8.401294575e-01 -1.298052177e+00 -1.487064908e+00 3.54 -8.137310479e-01 -1.263959179e+00 -1.450855080e+00 3.56 -7.879993534e-01 -1.230575062e+00 -1.415064701e+00 3.58 -7.629282028e-01 -1.197861647e+00 -1.379686353e+00 3.60 -7.385105336e-01 -1.165787523e+00 -1.344558748e+00 3.62 -7.147384734e-01 -1.134329676e+00 -1.309704153e+00 3.64 -6.916034163e-01 -1.103473438e+00 -1.275196010e+00 3.66 -6.690961004e-01 -1.073211505e+00 -1.241113130e+00 3.68 -6.472066734e-01 -1.043542543e+00 -1.207533232e+00 3.70 -6.259247588e-01 -1.014468967e+00 -1.174527099e+00 3.72 -6.052395152e-01 -9.859931922e-01 -1.142153959e+00 3.74 -5.851396901e-01 -9.581164574e-01 -1.110458438e+00 3.76 -5.656136772e-01 -9.308388826e-01 -1.079469243e+00 3.78 -5.466495531e-01 -9.041595429e-01 -1.049199555e+00 3.80 -5.282351330e-01 -8.780765412e-01 -1.019589546e+00 3.82 -5.103579977e-01 -8.525870795e-01 -9.905407186e-01 3.84 -4.930055383e-01 -8.276875251e-01 -9.620669076e-01 3.86 -4.761649815e-01 -8.033734736e-01 -9.341872755e-01 3.88 -4.598234203e-01 -7.796398123e-01 -9.069240013e-01 3.90 -4.439678381e-01 -7.564807790e-01 -8.803011953e-01 3.92 -4.285851302e-01 -7.338900148e-01 -8.543429896e-01 3.94 -4.136621165e-01 -7.118606210e-01 -8.290709542e-01 3.96 -3.991855705e-01 -6.903852057e-01 -8.045012424e-01 3.98 -3.851422106e-01 -6.694559333e-01 -7.806420686e-01 4.00 -3.715187310e-01 -6.490645686e-01 -7.574921258e-01 4.02 -3.583018014e-01 -6.292023823e-01 -7.350403553e-01 4.04 -3.454780633e-01 -6.096861542e-01 -7.132671122e-01 4.06 -3.330341635e-01 -5.899550187e-01 -6.921463785e-01 4.08 -3.209567417e-01 -5.700815629e-01 -6.716484768e-01 4.10 -3.092324365e-01 -5.502177496e-01 -6.517426984e-01 4.12 -2.978479270e-01 -5.305308944e-01 -6.323994284e-01 4.14 -2.867899370e-01 -5.111923986e-01 -6.135915894e-01 4.16 -2.760400953e-01 -4.923670154e-01 -5.952953924e-01 4.18 -2.647642153e-01 -4.742032608e-01 -5.774905463e-01 4.20 -2.523961192e-01 -4.568254254e-01 -5.601600928e-01 4.22 -2.391908990e-01 -4.403275513e-01 -5.432900254e-01 4.24 -2.254411319e-01 -4.247695709e-01 -5.268688404e-01 4.26 -2.114613324e-01 -4.101757052e-01 -5.108869795e-01 4.28 -1.975691279e-01 -3.965349082e-01 -4.953356993e-01 4.30 -1.840675938e-01 -3.836922420e-01 -4.802062421e-01 4.32 -1.712297978e-01 -3.712357125e-01 -4.654898058e-01 4.34 -1.592861998e-01 -3.591244710e-01 -4.511775553e-01 4.36 -1.484154268e-01 -3.473487279e-01 -4.372606408e-01 4.38 -1.387387096e-01 -3.358802003e-01 -4.237302173e-01 4.40 -1.303178705e-01 -3.244707544e-01 -4.105774512e-01 4.42 -1.231566528e-01 -3.130706352e-01 -3.977935440e-01 4.44 -1.170150881e-01 -3.017240700e-01 -3.853697332e-01 4.46 -1.111455052e-01 -2.904868352e-01 -3.732973073e-01 4.48 -1.054984036e-01 -2.794222399e-01 -3.615676237e-01 4.50 -1.000952282e-01 -2.685967953e-01 -3.501721008e-01 4.52 -9.494775368e-02 -2.580758181e-01 -3.391022328e-01 4.54 -8.963104651e-02 -2.479192201e-01 -3.283496095e-01 4.56 -8.397313375e-02 -2.381777546e-01 -3.179059010e-01 4.58 -7.809514321e-02 -2.288899269e-01 -3.077628652e-01 4.60 -7.213242042e-02 -2.200798801e-01 -2.979123690e-01 4.62 -6.622659918e-02 -2.117563589e-01 -2.883463814e-01 4.64 -6.051702550e-02 -2.038981234e-01 -2.790565699e-01 4.66 -5.513382236e-02 -1.962052591e-01 -2.698794045e-01 4.68 -5.019193197e-02 -1.880270653e-01 -2.599180766e-01 4.70 -4.578547302e-02 -1.793652087e-01 -2.491668697e-01 4.72 -4.198387252e-02 -1.703535308e-01 -2.378158861e-01 4.74 -3.882680493e-02 -1.611432071e-01 -2.260790196e-01 4.76 -3.632882648e-02 -1.518949097e-01 -2.141828606e-01 4.78 -3.447760089e-02 -1.427710204e-01 -2.023557777e-01 4.80 -3.309515026e-02 -1.339280245e-01 -1.908175328e-01 4.82 -3.179721538e-02 -1.255094506e-01 -1.797699569e-01 4.84 -3.055571594e-02 -1.176397521e-01 -1.693889814e-01 4.86 -2.936167259e-02 -1.104193788e-01 -1.598182912e-01 4.88 -2.820865412e-02 -1.039208516e-01 -1.511648001e-01 4.90 -2.709252456e-02 -9.818700867e-02 -1.434959775e-01 4.92 -2.601089663e-02 -9.323065984e-02 -1.368390366e-01 4.94 -2.496205794e-02 -8.903556798e-02 -1.311817392e-01 4.96 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