# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Ag3Co # 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 2024-04-11 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 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 2.629924513e+02 nan nan 1.16 2.412478933e+02 nan nan 1.18 2.213292031e+02 nan nan 1.20 2.030714880e+02 nan nan 1.22 1.863263615e+02 nan nan 1.24 1.709601638e+02 nan nan 1.26 1.568525134e+02 nan nan 1.28 1.438944192e+02 2.265353396e+02 2.609896190e+02 1.30 1.319868637e+02 2.092607515e+02 2.415867163e+02 1.32 1.210402581e+02 1.933115456e+02 2.236479421e+02 1.34 1.109737598e+02 1.785793100e+02 2.070546144e+02 1.36 1.017139678e+02 1.649649420e+02 1.916988324e+02 1.38 9.319372045e+01 1.523783417e+02 1.774818737e+02 1.40 8.535158437e+01 1.407376174e+02 1.643130608e+02 1.42 7.813164426e+01 1.299680329e+02 1.521095630e+02 1.44 7.148295463e+01 1.200009158e+02 1.407963485e+02 1.46 6.535869076e+01 1.107728739e+02 1.303054649e+02 1.48 5.971555443e+01 1.022256216e+02 1.205748436e+02 1.50 5.451729874e+01 9.430613454e+01 1.115472399e+02 1.52 4.973083422e+01 8.696648888e+01 1.031696067e+02 1.54 4.532264748e+01 8.016318843e+01 9.539284884e+01 1.56 4.126276398e+01 7.385636517e+01 8.817170716e+01 1.58 3.752420334e+01 6.800921128e+01 8.146456317e+01 1.60 3.408233180e+01 6.258764258e+01 7.523317625e+01 1.62 3.091435742e+01 5.756038215e+01 6.944242649e+01 1.64 2.799905353e+01 5.290240565e+01 6.406003756e+01 1.66 2.531669013e+01 4.858771024e+01 5.905630363e+01 1.68 2.284906845e+01 4.459036425e+01 5.440666275e+01 1.70 2.057951929e+01 4.088639067e+01 5.008882814e+01 1.72 1.849278902e+01 3.745377560e+01 4.607915510e+01 1.74 1.657483884e+01 3.427235484e+01 4.235593904e+01 1.76 1.481263615e+01 3.132360398e+01 3.889918613e+01 1.78 1.319400350e+01 2.859045892e+01 3.569036564e+01 1.80 1.170753865e+01 2.605723952e+01 3.271222837e+01 1.82 1.034257805e+01 2.370962565e+01 2.994867375e+01 1.84 9.089184754e+00 2.153459032e+01 2.738461564e+01 1.86 7.938173201e+00 1.952025018e+01 2.500583781e+01 1.88 6.881171992e+00 1.765566128e+01 2.279888925e+01 1.90 5.910676307e+00 1.593061053e+01 2.075108297e+01 1.92 5.020028543e+00 1.433544495e+01 1.885060033e+01 1.94 4.203316593e+00 1.286096839e+01 1.708661589e+01 1.96 3.455234073e+00 1.149841813e+01 1.544933625e+01 1.98 2.770953714e+00 1.023950721e+01 1.392991543e+01 2.00 2.146036444e+00 9.076495550e+00 1.252029446e+01 2.02 1.576370506e+00 8.002248045e+00 1.121304205e+01 2.04 1.058124447e+00 7.010249435e+00 1.000124716e+01 2.06 5.877014546e-01 6.094566832e+00 8.878471879e+00 2.08 1.616914420e-01 5.249774117e+00 7.838742438e+00 2.10 -2.231751763e-01 4.470865282e+00 6.876546338e+00 2.12 -5.700640216e-01 3.753180762e+00 5.986810855e+00 2.14 -8.820548615e-01 3.092358696e+00 5.164854212e+00 2.16 -1.162134727e+00 2.484311980e+00 4.406314487e+00 2.18 -1.413165394e+00 1.925225061e+00 3.707069597e+00 2.20 -1.637834157e+00 1.411560444e+00 3.063165869e+00 2.22 -1.838623375e+00 9.400636704e-01 2.470773717e+00 2.24 -2.017779108e+00 5.077584497e-01 1.926183375e+00 2.26 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2.62 -2.947181105e+00 -2.939716690e+00 -2.782566397e+00 2.64 -2.918233913e+00 -2.973057227e+00 -2.853788855e+00 2.66 -2.884703928e+00 -2.999320512e+00 -2.914974881e+00 2.68 -2.847100833e+00 -3.019218230e+00 -2.966657737e+00 2.70 -2.805968002e+00 -3.033346781e+00 -3.009333765e+00 2.72 -2.761856782e+00 -3.042209825e+00 -3.043482657e+00 2.74 -2.715304293e+00 -3.046502777e+00 -3.069575501e+00 2.76 -2.666812732e+00 -3.046392591e+00 -3.088083597e+00 2.78 -2.616833716e+00 -3.041860459e+00 -3.099488440e+00 2.80 -2.565759317e+00 -3.032936267e+00 -3.104295997e+00 2.82 -2.513919794e+00 -3.019693110e+00 -3.103319400e+00 2.84 -2.461586898e+00 -3.002240883e+00 -3.097037162e+00 2.86 -2.408980755e+00 -2.980719719e+00 -3.085730225e+00 2.88 -2.356278027e+00 -2.955294442e+00 -3.069770805e+00 2.90 -2.303619515e+00 -2.926162109e+00 -3.049593893e+00 2.92 -2.251116484e+00 -2.893553582e+00 -3.025662619e+00 2.94 -2.198855924e+00 -2.857713388e+00 -2.998432921e+00 2.96 -2.146905311e+00 -2.818900940e+00 -2.968324227e+00 2.98 -2.095317171e+00 -2.777394432e+00 -2.935712631e+00 3.00 -2.044133311e+00 -2.733494088e+00 -2.900926346e+00 3.02 -1.993388403e+00 -2.687522845e+00 -2.864228502e+00 3.04 -1.943112725e+00 -2.639822651e+00 -2.825827352e+00 3.06 -1.893334077e+00 -2.590745497e+00 -2.785890709e+00 3.08 -1.844079049e+00 -2.540639770e+00 -2.744559545e+00 3.10 -1.795373861e+00 -2.489834299e+00 -2.701958910e+00 3.12 -1.747244940e+00 -2.438623344e+00 -2.658205556e+00 3.14 -1.699719277e+00 -2.387255673e+00 -2.613412542e+00 3.16 -1.652824576e+00 -2.335929546e+00 -2.567691446e+00 3.18 -1.606589145e+00 -2.284793836e+00 -2.521152937e+00 3.20 -1.561041517e+00 -2.233953965e+00 -2.473906360e+00 3.22 -1.516209834e+00 -2.183480689e+00 -2.426058827e+00 3.24 -1.472121085e+00 -2.133419729e+00 -2.377714169e+00 3.26 -1.428800318e+00 -2.083800712e+00 -2.328972002e+00 3.28 -1.386269965e+00 -2.034644538e+00 -2.279927032e+00 3.30 -1.344549381e+00 -1.985968851e+00 -2.230668710e+00 3.32 -1.303654640e+00 -1.937791679e+00 -2.181281309e+00 3.34 -1.263598600e+00 -1.890133536e+00 -2.131844452e+00 3.36 -1.224391170e+00 -1.843018298e+00 -2.082434119e+00 3.38 -1.186039682e+00 -1.796473225e+00 -2.033124102e+00 3.40 -1.148549314e+00 -1.750528377e+00 -1.983987825e+00 3.42 -1.111923438e+00 -1.705215681e+00 -1.935100340e+00 3.44 -1.076163888e+00 -1.660567803e+00 -1.886540192e+00 3.46 -1.041271086e+00 -1.616616983e+00 -1.838390768e+00 3.48 -1.007244057e+00 -1.573393924e+00 -1.790740676e+00 3.50 -9.740803429e-01 -1.530926792e+00 -1.743682762e+00 3.52 -9.417758411e-01 -1.489240389e+00 -1.697311616e+00 3.54 -9.103245963e-01 -1.448355505e+00 -1.651719666e+00 3.56 -8.797185898e-01 -1.408288454e+00 -1.606992423e+00 3.58 -8.499475376e-01 -1.369050792e+00 -1.563203608e+00 3.60 -8.209987247e-01 -1.330649205e+00 -1.520411022e+00 3.62 -7.928568879e-01 -1.293085559e+00 -1.478653834e+00 3.64 -7.655041578e-01 -1.256357085e+00 -1.437951658e+00 3.66 -7.389200647e-01 -1.220456707e+00 -1.398305406e+00 3.68 -7.130816101e-01 -1.185373486e+00 -1.359699589e+00 3.70 -6.879634060e-01 -1.151093158e+00 -1.322105576e+00 3.72 -6.635378828e-01 -1.117598754e+00 -1.285485284e+00 3.74 -6.397755682e-01 -1.084871269e+00 -1.249794836e+00 3.76 -6.166454408e-01 -1.052890342e+00 -1.214987874e+00 3.78 -5.941153643e-01 -1.021634911e+00 -1.181018328e+00 3.80 -5.721526102e-01 -9.910838154e-01 -1.147842579e+00 3.82 -5.507244753e-01 -9.612163063e-01 -1.115420998e+00 3.84 -5.297990029e-01 -9.320124366e-01 -1.083718939e+00 3.86 -5.093458111e-01 -9.034533226e-01 -1.052707238e+00 3.88 -4.893370244e-01 -8.755212645e-01 -1.022362304e+00 3.90 -4.697482928e-01 -8.481997336e-01 -9.926658878e-01 3.92 -4.505598609e-01 -8.214732417e-01 -9.636045944e-01 3.94 -4.317576286e-01 -7.953271273e-01 -9.351692235e-01 3.96 -4.133340942e-01 -7.697472780e-01 -9.073539884e-01 3.98 -3.952890698e-01 -7.447198539e-01 -8.801557020e-01 4.00 -3.776300057e-01 -7.202310368e-01 -8.535729636e-01 4.02 -3.603717785e-01 -6.962668569e-01 -8.276053999e-01 4.04 -3.435358199e-01 -6.728131317e-01 -8.022529939e-01 4.06 -3.271485364e-01 -6.498555504e-01 -7.775155203e-01 4.08 -3.112390715e-01 -6.273799241e-01 -7.533920977e-01 4.10 -2.958365835e-01 -6.053726110e-01 -7.298808567e-01 4.12 -2.809673248e-01 -5.838211299e-01 -7.069787146e-01 4.14 -2.666518791e-01 -5.627148925e-01 -6.846812432e-01 4.16 -2.529029174e-01 -5.420460725e-01 -6.629826138e-01 4.18 -2.397237702e-01 -5.218104896e-01 -6.418756009e-01 4.20 -2.271079879e-01 -5.020084283e-01 -6.213516293e-01 4.22 -2.150399282e-01 -4.826452640e-01 -6.014008504e-01 4.24 -2.034962236e-01 -4.637317623e-01 -5.820122335e-01 4.26 -1.924479556e-01 -4.452839268e-01 -5.631736646e-01 4.28 -1.818632277e-01 -4.273223091e-01 -5.448720440e-01 4.30 -1.717098658e-01 -4.098707595e-01 -5.270933775e-01 4.32 -1.619579771e-01 -3.929546828e-01 -5.098228578e-01 4.34 -1.525821417e-01 -3.765989530e-01 -4.930449335e-01 4.36 -1.435630481e-01 -3.608257090e-01 -4.767433663e-01 4.38 -1.348884435e-01 -3.456522858e-01 -4.609012738e-01 4.40 -1.265533088e-01 -3.310895174e-01 -4.455011618e-01 4.42 -1.185592619e-01 -3.171405879e-01 -4.305249447e-01 4.44 -1.109132493e-01 -3.038005167e-01 -4.159539578e-01 4.46 -1.036256899e-01 -2.910562710e-01 -4.017689638e-01 4.48 -9.670829871e-02 -2.788874143e-01 -3.879501555e-01 4.50 -9.017186594e-02 -2.672671531e-01 -3.744771604e-01 4.52 -8.402426178e-02 -2.561636166e-01 -3.613290464e-01 4.54 -7.826888869e-02 -2.455412209e-01 -3.484843572e-01 4.56 -7.290371784e-02 -2.353619911e-01 -3.359211286e-01 4.58 -6.792094743e-02 -2.255867563e-01 -3.236169681e-01 4.60 -6.330722906e-02 -2.161761721e-01 -3.115491502e-01 4.62 -5.904434398e-02 -2.070915576e-01 -2.996947602e-01 4.64 -5.511017762e-02 -1.982955616e-01 -2.880308963e-01 4.66 -5.147984322e-02 -1.897526878e-01 -2.765349390e-01 4.68 -4.812682261e-02 -1.814297189e-01 -2.651849026e-01 4.70 -4.502401177e-02 -1.732960798e-01 -2.539598784e-01 4.72 -4.214450512e-02 -1.653241758e-01 -2.428405768e-01 4.74 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-6.490460943e-02 5.10 -8.954166963e-03 -3.883101150e-02 -5.801761548e-02 5.12 -7.986183166e-03 -3.456128667e-02 -5.165157712e-02 5.14 -7.096854751e-03 -3.064392038e-02 -4.580774942e-02 5.16 -6.284708647e-03 -2.707303369e-02 -4.047893236e-02 5.18 -5.547386697e-03 -2.383846103e-02 -3.565043531e-02 5.20 -4.881751752e-03 -2.092583688e-02 -3.130129790e-02 5.22 -4.284027798e-03 -1.831738758e-02 -2.740558035e-02 5.24 -3.749957609e-03 -1.599344713e-02 -2.393316493e-02 5.26 -3.274963339e-03 -1.393278420e-02 -2.085268934e-02 5.28 -2.854298463e-03 -1.211339866e-02 -1.813174601e-02 5.30 -2.483182919e-03 -1.051321911e-02 -1.573785713e-02 5.32 -2.156916671e-03 -9.110660849e-03 -1.363910756e-02 5.34 -1.870969780e-03 -7.885047980e-03 -1.180480933e-02 5.36 -1.621049329e-03 -6.816911375e-03 -1.020598942e-02 5.38 -1.403145086e-03 -5.888179095e-03 -8.815704673e-03 5.40 -1.213556709e-03 -5.082277905e-03 -7.609214431e-03 5.42 -1.048905702e-03 -4.384164434e-03 -6.564041452e-03 5.44 -9.061353639e-04 -3.780303155e-03 -5.659948484e-03 5.46 -7.825017345e-04 -3.258606196e-03 -4.878854513e-03 5.48 -6.755581820e-04 -2.808347553e-03 -4.204710475e-03 5.50 -5.831358412e-04 -2.420061791e-03 -3.623350286e-03 5.52 -5.033216786e-04 -2.085435058e-03 -3.122329374e-03 5.54 -4.344355538e-04 -1.797194243e-03 -2.690758921e-03 5.56 -3.750072916e-04 -1.548998423e-03 -2.319147657e-03 5.58 -3.237544840e-04 -1.335335438e-03 -1.999241750e-03 5.60 -2.795615011e-04 -1.151425343e-03 -1.723884416e-03 5.62 -2.414600006e-04 -9.931317204e-04 -1.486882260e-03 5.64 -2.086110877e-04 -8.568812320e-04 -1.282884907e-03 5.66 -1.802891721e-04 -7.395914008e-04 -1.107276919e-03 5.68 -1.558674960e-04 -6.386063130e-04 -9.560815443e-04 5.70 -1.348052604e-04 -5.516397684e-04 -8.258756130e-04 5.72 -1.166362464e-04 -4.767253037e-04 -7.137147095e-04 5.74 -1.009588089e-04 -4.121724648e-04 -6.170677004e-04 5.76 -8.742711923e-05 -3.565286989e-04 -5.337596750e-04 5.78 -7.574352604e-05 -3.085462546e-04 -4.619223821e-04 5.80 -6.565191462e-05 -2.671535105e-04 -3.999512982e-04 5.82 -5.693194775e-05 -2.314301967e-04 -3.464685253e-04 5.84 -4.939408227e-05 -2.005860227e-04 -3.002907875e-04 5.86 -4.287526464e-05 -1.739422709e-04 -2.604018700e-04 5.88 -3.723521826e-05 -1.509159648e-04 -2.259289131e-04 5.90 -3.235324533e-05 -1.310062673e-04 -1.961220445e-04 5.92 -2.812547434e-05 -1.137828023e-04 -1.703368934e-04 5.94 -2.446249320e-05 -9.887563655e-05 -1.480195889e-04 5.96 -2.128731507e-05 -8.596668743e-05 -1.286938954e-04 5.98 -1.853363095e-05 -7.478235872e-05 -1.119501850e-04 6.00 -1.614430915e-05 -6.508722842e-05 -9.743598662e-05