# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Xu-Y-Wang-G-Qian-P-Su-Y--Ni-Rh # implementation = 2022--Xu-Y--Ni-Rh--LAMMPS--ipr1 # composition = NiRh3 # 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 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 6.337675501e+02 nan nan 1.04 5.869132519e+02 nan nan 1.06 5.439001196e+02 nan nan 1.08 5.042441579e+02 nan nan 1.10 4.674893701e+02 nan nan 1.12 4.332421990e+02 nan nan 1.14 4.011678295e+02 nan nan 1.16 3.709972834e+02 5.380618651e+02 6.050574030e+02 1.18 3.426043126e+02 5.006025235e+02 5.649647344e+02 1.20 3.159753673e+02 4.656962072e+02 5.274632804e+02 1.22 2.910786724e+02 4.331558226e+02 4.923228876e+02 1.24 2.678700874e+02 4.027937397e+02 4.592983698e+02 1.26 2.462986342e+02 3.744463980e+02 4.281712350e+02 1.28 2.263079951e+02 3.479560695e+02 3.988638484e+02 1.30 2.078351960e+02 3.231635686e+02 3.713324471e+02 1.32 1.908120559e+02 2.999089666e+02 3.455202403e+02 1.34 1.751689865e+02 2.780697619e+02 3.213612866e+02 1.36 1.608369169e+02 2.576089686e+02 2.987848219e+02 1.38 1.477460843e+02 2.384974477e+02 2.777136412e+02 1.40 1.358264400e+02 2.206988056e+02 2.580638210e+02 1.42 1.250095926e+02 2.041679594e+02 2.397500473e+02 1.44 1.152304804e+02 1.888515290e+02 2.226912347e+02 1.46 1.064294071e+02 1.746907353e+02 2.068104152e+02 1.48 9.855034159e+01 1.616254563e+02 1.920311233e+02 1.50 9.153733472e+01 1.495979199e+02 1.782784376e+02 1.52 8.533319335e+01 1.385534100e+02 1.654795382e+02 1.54 7.987967663e+01 1.284397275e+02 1.535708968e+02 1.56 7.511733911e+01 1.192064692e+02 1.425183319e+02 1.58 6.727280719e+01 1.108047834e+02 1.322934969e+02 1.60 5.912060366e+01 1.031872717e+02 1.228657256e+02 1.62 5.169561124e+01 9.630667390e+01 1.142028644e+02 1.64 4.513098005e+01 9.011556473e+01 1.062715946e+02 1.66 3.936145480e+01 8.456544640e+01 9.903842030e+01 1.68 3.431033243e+01 7.960653696e+01 9.246980503e+01 1.70 2.989314381e+01 7.518898630e+01 8.652832203e+01 1.72 2.602036238e+01 6.819731093e+01 8.117782874e+01 1.74 2.259969301e+01 6.040925973e+01 7.638307700e+01 1.76 1.953865607e+01 5.317565176e+01 7.107148300e+01 1.78 1.676098525e+01 4.662352436e+01 6.286948218e+01 1.80 1.422232189e+01 4.073734562e+01 5.531212727e+01 1.82 1.190012631e+01 3.547482390e+01 4.841865970e+01 1.84 9.787105076e+00 3.078578033e+01 4.223958718e+01 1.86 7.874509327e+00 2.661535596e+01 3.673896377e+01 1.88 6.151882926e+00 2.290890964e+01 3.187304330e+01 1.90 4.607937170e+00 1.962401611e+01 2.759244406e+01 1.92 3.231487841e+00 1.672204475e+01 2.384363297e+01 1.94 2.011733670e+00 1.416450680e+01 2.057069032e+01 1.96 9.383899622e-01 1.191336373e+01 1.771692005e+01 1.98 1.228577193e-03 9.931122042e+00 1.522560669e+01 2.00 -8.104344084e-01 8.180833236e+00 1.304056284e+01 2.02 -1.507974418e+00 6.628894564e+00 1.111115062e+01 2.04 -2.104460926e+00 5.253341732e+00 9.405114635e+00 2.06 -2.613837226e+00 4.035575278e+00 7.895579569e+00 2.08 -3.048048689e+00 2.957005118e+00 6.555976227e+00 2.10 -3.417113859e+00 1.999129613e+00 5.360204602e+00 2.12 -3.729651825e+00 1.143683973e+00 4.282951335e+00 2.14 -3.993484000e+00 3.729233387e-01 3.299840462e+00 2.16 -4.216039290e+00 -3.298818916e-01 2.387972894e+00 2.18 -4.402308977e+00 -9.734770677e-01 1.536629450e+00 2.20 -4.555276971e+00 -1.559568315e+00 7.460836581e-01 2.22 -4.678443373e+00 -2.091022220e+00 1.641889430e-02 2.24 -4.775730444e+00 -2.571586359e+00 -6.528475523e-01 2.26 -4.851157704e+00 -3.004380681e+00 -1.262745457e+00 2.28 -4.908516318e+00 -3.391718846e+00 -1.815304455e+00 2.30 -4.951108420e+00 -3.735400073e+00 -2.314061317e+00 2.32 -4.981654147e+00 -4.036999614e+00 -2.762361615e+00 2.34 -5.002447433e+00 -4.298095168e+00 -3.163111065e+00 2.36 -5.015352453e+00 -4.520570411e+00 -3.519023786e+00 2.38 -5.021772864e+00 -4.706815023e+00 -3.832842809e+00 2.40 -5.022663391e+00 -4.859771218e+00 -4.107465519e+00 2.42 -5.018601141e+00 -4.982858740e+00 -4.345951381e+00 2.44 -5.009875099e+00 -5.079809980e+00 -4.551478138e+00 2.46 -4.996262246e+00 -5.154410170e+00 -4.727205094e+00 2.48 -4.976279277e+00 -5.210215464e+00 -4.876107495e+00 2.50 -4.949637036e+00 -5.250322471e+00 -5.000864271e+00 2.52 -4.916340137e+00 -5.277257337e+00 -5.103833136e+00 2.54 -4.876502938e+00 -5.293063646e+00 -5.187151585e+00 2.56 -4.830319947e+00 -5.299384653e+00 -5.252757713e+00 2.58 -4.778078946e+00 -5.297497884e+00 -5.302336415e+00 2.60 -4.720197981e+00 -5.288357787e+00 -5.337421687e+00 2.62 -4.657128314e+00 -5.272664598e+00 -5.359581129e+00 2.64 -4.589604084e+00 -5.250937978e+00 -5.370265690e+00 2.66 -4.518519115e+00 -5.223601467e+00 -5.370743844e+00 2.68 -4.444809886e+00 -5.191045391e+00 -5.362101880e+00 2.70 -4.369387930e+00 -5.153586618e+00 -5.345276369e+00 2.72 -4.293070912e+00 -5.111476286e+00 -5.321090370e+00 2.74 -4.216518350e+00 -5.064975062e+00 -5.290283141e+00 2.76 -4.140186574e+00 -5.014372220e+00 -5.253534038e+00 2.78 -4.064371409e+00 -4.959966849e+00 -5.211477796e+00 2.80 -3.989258091e+00 -4.902073029e+00 -5.164711594e+00 2.82 -3.914924711e+00 -4.841030536e+00 -5.113802787e+00 2.84 -3.841358296e+00 -4.777237955e+00 -5.059275919e+00 2.86 -3.768486933e+00 -4.711150700e+00 -5.001584040e+00 2.88 -3.696203912e+00 -4.643257235e+00 -4.941096649e+00 2.90 -3.624392752e+00 -4.574047525e+00 -4.878128533e+00 2.92 -3.552956271e+00 -4.503977830e+00 -4.812954290e+00 2.94 -3.481845498e+00 -4.433436504e+00 -4.745851532e+00 2.96 -3.411051343e+00 -4.362714128e+00 -4.677103851e+00 2.98 -3.340592056e+00 -4.291982322e+00 -4.606983799e+00 3.00 -3.270528616e+00 -4.221300916e+00 -4.535759327e+00 3.02 -3.200977506e+00 -4.150643667e+00 -4.463694692e+00 3.04 -3.132120175e+00 -4.079923738e+00 -4.391043042e+00 3.06 -3.064201177e+00 -4.009025153e+00 -4.318044630e+00 3.08 -2.997507134e+00 -3.937819948e+00 -4.244919162e+00 3.10 -2.932315351e+00 -3.866192577e+00 -4.171847545e+00 3.12 -2.868838209e+00 -3.794065306e+00 -4.098985947e+00 3.14 -2.807201395e+00 -3.721410991e+00 -4.026472175e+00 3.16 -2.747432674e+00 -3.648260656e+00 -3.954420713e+00 3.18 -2.689492615e+00 -3.574707639e+00 -3.882923488e+00 3.20 -2.633282089e+00 -3.500909649e+00 -3.812057789e+00 3.22 -2.578644666e+00 -3.427088896e+00 -3.741883348e+00 3.24 -2.525378480e+00 -3.353530468e+00 -3.672439813e+00 3.26 -2.473256754e+00 -3.280577112e+00 -3.603747470e+00 3.28 -2.422052188e+00 -3.208617582e+00 -3.535808976e+00 3.30 -2.371561150e+00 -3.138066530e+00 -3.468612209e+00 3.32 -2.321623490e+00 -3.069337056e+00 -3.402135359e+00 3.34 -2.272135021e+00 -3.002808795e+00 -3.336354390e+00 3.36 -2.223051132e+00 -2.938795072e+00 -3.271252523e+00 3.38 -2.174382468e+00 -2.877514551e+00 -3.206830643e+00 3.40 -2.126184915e+00 -2.819075190e+00 -3.143116641e+00 3.42 -2.078547133e+00 -2.763466699e+00 -3.080172727e+00 3.44 -2.031578262e+00 -2.710595496e+00 -3.018098467e+00 3.46 -1.985389664e+00 -2.660314200e+00 -2.957013616e+00 3.48 -1.940075333e+00 -2.612423471e+00 -2.897031132e+00 3.50 -1.895705022e+00 -2.566681799e+00 -2.838259152e+00 3.52 -1.852322580e+00 -2.522816273e+00 -2.780796104e+00 3.54 -1.809946572e+00 -2.480528437e+00 -2.724717334e+00 3.56 -1.768571935e+00 -2.439505878e+00 -2.670082882e+00 3.58 -1.728172253e+00 -2.399439747e+00 -2.616951843e+00 3.60 -1.688702847e+00 -2.360040168e+00 -2.565376606e+00 3.62 -1.650103708e+00 -2.321028054e+00 -2.515394118e+00 3.64 -1.612302528e+00 -2.282135435e+00 -2.467017233e+00 3.66 -1.575229275e+00 -2.243120376e+00 -2.420227698e+00 3.68 -1.538845661e+00 -2.203781464e+00 -2.374972069e+00 3.70 -1.503138404e+00 -2.163969617e+00 -2.331160759e+00 3.72 -1.468101587e+00 -2.123596379e+00 -2.288670795e+00 3.74 -1.433734637e+00 -2.082637688e+00 -2.247352619e+00 3.76 -1.400039667e+00 -2.041132944e+00 -2.207039506e+00 3.78 -1.367020463e+00 -1.999179549e+00 -2.167558197e+00 3.80 -1.334682209e+00 -1.956923572e+00 -2.128739899e+00 3.82 -1.303031186e+00 -1.914547365e+00 -2.090430279e+00 3.84 -1.272074283e+00 -1.872255505e+00 -2.052498348e+00 3.86 -1.241818547e+00 -1.830260234e+00 -2.014843555e+00 3.88 -1.212270640e+00 -1.788767551e+00 -1.977400875e+00 3.90 -1.183436288e+00 -1.747964940e+00 -1.940140298e+00 3.92 -1.155319605e+00 -1.708009835e+00 -1.903063604e+00 3.94 -1.127922435e+00 -1.669018126e+00 -1.866203669e+00 3.96 -1.101243638e+00 -1.631056754e+00 -1.829623529e+00 3.98 -1.075278444e+00 -1.594144981e+00 -1.793410207e+00 4.00 -1.050017847e+00 -1.558271415e+00 -1.757651502e+00 4.02 -1.025448179e+00 -1.523405449e+00 -1.722421689e+00 4.04 -1.001550842e+00 -1.489503485e+00 -1.687775414e+00 4.06 -9.783023224e-01 -1.456513223e+00 -1.653742024e+00 4.08 -9.556744449e-01 -1.424377527e+00 -1.620321812e+00 4.10 -9.336349703e-01 -1.393038249e+00 -1.587496724e+00 4.12 -9.121459049e-01 -1.362439758e+00 -1.555242786e+00 4.14 -8.911633927e-01 -1.332532297e+00 -1.523534499e+00 4.16 -8.706438601e-01 -1.303275099e+00 -1.492346807e+00 4.18 -8.505457591e-01 -1.274639334e+00 -1.461655786e+00 4.20 -8.308308749e-01 -1.246611010e+00 -1.431439585e+00 4.22 -8.114655007e-01 -1.219190496e+00 -1.401679132e+00 4.24 -7.924214190e-01 -1.192382012e+00 -1.372359088e+00 4.26 -7.736765848e-01 -1.166188477e+00 -1.343468683e+00 4.28 -7.552154675e-01 -1.140610770e+00 -1.315002332e+00 4.30 -7.370290631e-01 -1.115647136e+00 -1.286960180e+00 4.32 -7.191145077e-01 -1.091292553e+00 -1.259348266e+00 4.34 -7.014744412e-01 -1.067538159e+00 -1.232178312e+00 4.36 -6.841161109e-01 -1.044370779e+00 -1.205467164e+00 4.38 -6.670503098e-01 -1.021772618e+00 -1.179235769e+00 4.40 -6.502901225e-01 -9.997211863e-01 -1.153507789e+00 4.42 -6.338495693e-01 -9.781894847e-01 -1.128307882e+00 4.44 -6.177420844e-01 -9.571465256e-01 -1.103659910e+00 4.46 -6.019788299e-01 -9.365583175e-01 -1.079585111e+00 4.48 -5.865667114e-01 -9.163877224e-01 -1.056100403e+00 4.50 -5.715059436e-01 -8.965934760e-01 -1.033217123e+00 4.52 -5.567876096e-01 -8.771353564e-01 -1.010939837e+00 4.54 -5.423948141e-01 -8.579768886e-01 -9.892649664e-01 4.56 -5.283080195e-01 -8.390866909e-01 -9.681804330e-01 4.58 -5.145062451e-01 -8.204395834e-01 -9.476661990e-01 4.60 -5.009668863e-01 -8.020173109e-01 -9.276936142e-01 4.62 -4.876657027e-01 -7.838088381e-01 -9.082249631e-01 4.64 -4.745768301e-01 -7.658101954e-01 -8.892183039e-01 4.66 -4.616728209e-01 -7.480238632e-01 -8.706297368e-01 4.68 -4.489247518e-01 -7.304577266e-01 -8.524150019e-01 4.70 -4.363024116e-01 -7.131236289e-01 -8.345310181e-01 4.72 -4.237746044e-01 -6.960356227e-01 -8.169373690e-01 4.74 -4.113094593e-01 -6.792078583e-01 -7.995975578e-01 4.76 -3.988750160e-01 -6.626521846e-01 -7.824801351e-01 4.78 -3.864400264e-01 -6.463765678e-01 -7.655595985e-01 4.80 -3.739749306e-01 -6.303875776e-01 -7.488171096e-01 4.82 -3.614527481e-01 -6.146919465e-01 -7.322410275e-01 4.84 -3.488507468e-01 -5.992961064e-01 -7.158273365e-01 4.86 -3.361522636e-01 -5.842055429e-01 -6.995797245e-01 4.88 -3.233473901e-01 -5.694241201e-01 -6.835071108e-01 4.90 -3.104368704e-01 -5.549533649e-01 -6.676205628e-01 4.92 -2.974315710e-01 -5.407916272e-01 -6.519323500e-01 4.94 -2.843610163e-01 -5.269332566e-01 -6.364551970e-01 4.96 -2.712645541e-01 -5.133682837e-01 -6.212014909e-01 4.98 -2.581897771e-01 -5.000849129e-01 -6.061824108e-01 5.00 -2.451901773e-01 -4.870701895e-01 -5.914069226e-01 5.02 -2.323235038e-01 -4.743103324e-01 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