# 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 = AgW3 # 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 5.273237671e+02 nan nan 1.16 4.834863130e+02 nan nan 1.18 4.433862099e+02 nan nan 1.20 4.066652784e+02 nan nan 1.22 3.730051841e+02 nan nan 1.24 3.421204765e+02 nan nan 1.26 3.137543193e+02 nan nan 1.28 2.876775026e+02 4.534496290e+02 5.230626902e+02 1.30 2.636886618e+02 4.187074789e+02 4.839053022e+02 1.32 2.416132950e+02 3.866810420e+02 4.477289310e+02 1.34 2.213001928e+02 3.571369495e+02 4.142720459e+02 1.36 2.026157986e+02 3.298564406e+02 3.833038837e+02 1.38 1.854384692e+02 3.046369017e+02 3.546238245e+02 1.40 1.696543556e+02 2.812950301e+02 3.280561153e+02 1.42 1.551552897e+02 2.596690274e+02 3.034432814e+02 1.44 1.418380687e+02 2.396181668e+02 2.806412771e+02 1.46 1.296044668e+02 2.210199401e+02 2.595169472e+02 1.48 1.183616868e+02 2.037663608e+02 2.399467211e+02 1.50 1.080231498e+02 1.877609140e+02 2.218154729e+02 1.52 9.850943962e+01 1.729166158e+02 2.050152720e+02 1.54 8.974909008e+01 1.591548077e+02 1.894444191e+02 1.56 8.167892716e+01 1.464041406e+02 1.750072278e+02 1.58 7.424385276e+01 1.345994153e+02 1.616145639e+02 1.60 6.739611181e+01 1.236802169e+02 1.491846589e+02 1.62 6.109412213e+01 1.135895021e+02 1.376435569e+02 1.64 5.530098498e+01 1.042723936e+02 1.269248232e+02 1.66 4.998289807e+01 9.567540573e+01 1.169686102e+02 1.68 4.510776676e+01 8.774618212e+01 1.077204998e+02 1.70 4.064425826e+01 8.043366790e+01 9.913054229e+01 1.72 3.656139322e+01 7.368851609e+01 9.115268683e+01 1.74 3.282860134e+01 6.746353149e+01 8.374454731e+01 1.76 2.941727765e+01 6.171406273e+01 7.686731504e+01 1.78 2.630045745e+01 5.639836809e+01 7.048561217e+01 1.80 2.345077649e+01 5.147801122e+01 6.456714929e+01 1.82 2.084274645e+01 4.691828358e+01 5.908217766e+01 1.84 1.845329945e+01 4.268855603e+01 5.400284709e+01 1.86 1.625994840e+01 3.876240223e+01 4.930262328e+01 1.88 1.424225002e+01 3.511736670e+01 4.495587193e+01 1.90 1.238225153e+01 3.173448697e+01 4.093763350e+01 1.92 1.066468924e+01 2.859864813e+01 3.722354925e+01 1.94 9.076911043e+00 2.569570048e+01 3.378988030e+01 1.96 7.608535373e+00 2.301179148e+01 3.061373177e+01 1.98 6.250962458e+00 2.053451201e+01 2.767461427e+01 2.00 4.996873722e+00 1.825088751e+01 2.495191233e+01 2.02 3.839811580e+00 1.614787051e+01 2.242606786e+01 2.04 2.773873871e+00 1.421260074e+01 2.008055035e+01 2.06 1.793516333e+00 1.243240656e+01 1.790000177e+01 2.08 8.934383964e-01 1.079483977e+01 1.587094406e+01 2.10 6.852513760e-02 9.287763992e+00 1.398212883e+01 2.12 -6.861766678e-01 7.899511611e+00 1.222425659e+01 2.14 -1.375462848e+00 6.619097362e+00 1.058957137e+01 2.16 -2.003963682e+00 5.436446059e+00 9.071421996e+00 2.18 -2.576125556e+00 4.342576416e+00 7.663863628e+00 2.20 -3.096183753e+00 3.329692292e+00 6.361343140e+00 2.22 -3.568130655e+00 2.391161467e+00 5.158484173e+00 2.24 -3.995687162e+00 1.521395561e+00 4.049967387e+00 2.26 -4.382284985e+00 7.156679413e-01 3.030487839e+00 2.28 -4.731062659e+00 -3.008725954e-02 2.094763099e+00 2.30 -5.044872069e+00 -7.194599838e-01 1.237563781e+00 2.32 -5.326289421e+00 -1.355712786e+00 4.537437245e-01 2.34 -5.577625871e+00 -1.941887035e+00 -2.617418827e-01 2.36 -5.800896315e+00 -2.480870395e+00 -9.138304947e-01 2.38 -5.997658618e+00 -2.975433696e+00 -1.507350747e+00 2.40 -6.169695678e+00 -3.428246208e+00 -2.047015626e+00 2.42 -6.318630000e+00 -3.841877224e+00 -2.537402330e+00 2.44 -6.445845548e+00 -4.218790066e+00 -2.982915438e+00 2.46 -6.552525141e+00 -4.561332819e+00 -3.387735698e+00 2.48 -6.639693370e+00 -4.871728573e+00 -3.755761998e+00 2.50 -6.708262098e+00 -5.152066943e+00 -4.090557362e+00 2.52 -6.758808239e+00 -5.404298094e+00 -4.395309919e+00 2.54 -6.790957466e+00 -5.630230314e+00 -4.672816707e+00 2.56 -6.804306103e+00 -5.831434620e+00 -4.925493011e+00 2.58 -6.798655299e+00 -6.009389541e+00 -5.155404390e+00 2.60 -6.773987116e+00 -6.165608117e+00 -5.364314445e+00 2.62 -6.730442444e+00 -6.301544943e+00 -5.553738038e+00 2.64 -6.668304662e+00 -6.418588423e+00 -5.724787005e+00 2.66 -6.587993421e+00 -6.518006901e+00 -5.878685257e+00 2.68 -6.490072010e+00 -6.600965000e+00 -6.016737186e+00 2.70 -6.375269353e+00 -6.668540703e+00 -6.140118838e+00 2.72 -6.244514131e+00 -6.721573934e+00 -6.249905864e+00 2.74 -6.098974338e+00 -6.760343905e+00 -6.347092174e+00 2.76 -5.940091875e+00 -6.785083248e+00 -6.432601474e+00 2.78 -5.769599703e+00 -6.795946795e+00 -6.507293639e+00 2.80 -5.589509829e+00 -6.793067145e+00 -6.571861081e+00 2.82 -5.402064558e+00 -6.776673031e+00 -6.626374227e+00 2.84 -5.209650458e+00 -6.747078099e+00 -6.670777707e+00 2.86 -5.014682744e+00 -6.704672562e+00 -6.705103191e+00 2.88 -4.819486220e+00 -6.649920915e+00 -6.729437200e+00 2.90 -4.626332763e+00 -6.583364272e+00 -6.743892505e+00 2.92 -4.436743355e+00 -6.505624781e+00 -6.748582801e+00 2.94 -4.251702366e+00 -6.417408721e+00 -6.743601465e+00 2.96 -4.071807985e+00 -6.319504714e+00 -6.729005805e+00 2.98 -3.897299954e+00 -6.212774008e+00 -6.704808156e+00 3.00 -3.728163984e+00 -6.098131096e+00 -6.670974411e+00 3.02 -3.564203772e+00 -5.976514913e+00 -6.627429486e+00 3.04 -3.405096822e+00 -5.848852936e+00 -6.574068197e+00 3.06 -3.250482289e+00 -5.716022343e+00 -6.510769465e+00 3.08 -3.100033915e+00 -5.578813288e+00 -6.437411670e+00 3.10 -2.953509628e+00 -5.437941124e+00 -6.353887272e+00 3.12 -2.810774842e+00 -5.294071947e+00 -6.260115353e+00 3.14 -2.671800913e+00 -5.147360208e+00 -6.156051436e+00 3.16 -2.536643975e+00 -4.997844374e+00 -6.041694593e+00 3.18 -2.405411850e+00 -4.845508757e+00 -5.917092526e+00 3.20 -2.278227517e+00 -4.690293711e+00 -5.782345798e+00 3.22 -2.155196721e+00 -4.532120479e+00 -5.637612706e+00 3.24 -2.036385034e+00 -4.370930829e+00 -5.483247797e+00 3.26 -1.921806895e+00 -4.206690255e+00 -5.319497129e+00 3.28 -1.811426398e+00 -4.039412002e+00 -5.146473712e+00 3.30 -1.705167553e+00 -3.869187482e+00 -4.964417130e+00 3.32 -1.602930595e+00 -3.696214829e+00 -4.773716959e+00 3.34 -1.504610606e+00 -3.520823744e+00 -4.574944182e+00 3.36 -1.410115088e+00 -3.343494459e+00 -4.368909948e+00 3.38 -1.319377872e+00 -3.164868484e+00 -4.156660952e+00 3.40 -1.232367684e+00 -2.985748810e+00 -3.939469390e+00 3.42 -1.149090642e+00 -2.807087800e+00 -3.718826857e+00 3.44 -1.069586824e+00 -2.629961942e+00 -3.496420325e+00 3.46 -9.939217757e-01 -2.455534117e+00 -3.274088907e+00 3.48 -9.221744123e-01 -2.285005660e+00 -3.053762756e+00 3.50 -8.544230535e-01 -2.119562086e+00 -2.837388297e+00 3.52 -7.907314387e-01 -1.960317471e+00 -2.626846340e+00 3.54 -7.311363839e-01 -1.808262882e+00 -2.423871092e+00 3.56 -6.756383641e-01 -1.664223801e+00 -2.229978233e+00 3.58 -6.241957841e-01 -1.528830197e+00 -2.046408967e+00 3.60 -5.767231424e-01 -1.402501199e+00 -1.874094692e+00 3.62 -5.330927931e-01 -1.285444379e+00 -1.713643995e+00 3.64 -4.931396341e-01 -1.177667973e+00 -1.565350861e+00 3.66 -4.566678373e-01 -1.079003202e+00 -1.429220653e+00 3.68 -4.234586955e-01 -9.891332515e-01 -1.305008976e+00 3.70 -3.932787383e-01 -9.076254460e-01 -1.192268057e+00 3.72 -3.658872179e-01 -8.339636250e-01 -1.090395623e+00 3.74 -3.410432736e-01 -7.675783673e-01 -9.986821449e-01 3.76 -3.185117836e-01 -7.078735257e-01 -9.163534949e-01 3.78 -2.980672206e-01 -6.542482427e-01 -8.426072672e-01 3.80 -2.794968774e-01 -6.061142262e-01 -7.766420381e-01 3.82 -2.626029387e-01 -5.629084992e-01 -7.176796341e-01 3.84 -2.472035796e-01 -5.241021159e-01 -6.649810088e-01 3.86 -2.331332854e-01 -4.892054798e-01 -6.178566222e-01 3.88 -2.202425801e-01 -4.577709351e-01 -5.756723308e-01 3.90 -2.083973315e-01 -4.293932752e-01 -5.378517808e-01 3.92 -1.974777732e-01 -4.037087383e-01 -5.038762043e-01 3.94 -1.873773602e-01 -3.803929743e-01 -4.732823928e-01 3.96 -1.780015424e-01 -3.591583629e-01 -4.456594626e-01 3.98 -1.692665281e-01 -3.397509925e-01 -4.206449154e-01 4.00 -1.610980804e-01 -3.219475157e-01 -3.979203488e-01 4.02 -1.534303811e-01 -3.055520462e-01 -3.772070875e-01 4.04 -1.462049817e-01 -2.903931997e-01 -3.582619143e-01 4.06 -1.393698556e-01 -2.763213597e-01 -3.408730208e-01 4.08 -1.328785577e-01 -2.632062006e-01 -3.248562472e-01 4.10 -1.266894938e-01 -2.509343845e-01 -3.100516453e-01 4.12 -1.207653030e-01 -2.394076527e-01 -2.963203820e-01 4.14 -1.150723522e-01 -2.285416824e-01 -2.835419722e-01 4.16 -1.095803419e-01 -2.182641452e-01 -2.716116110e-01 4.18 -1.042620250e-01 -2.085135190e-01 -2.604384363e-01 4.20 -9.909303601e-02 -1.992380799e-01 -2.499436564e-01 4.22 -9.405182907e-02 -1.903949870e-01 -2.400585581e-01 4.24 -8.911972064e-02 -1.819494126e-01 -2.307231319e-01 4.26 -8.428102672e-02 -1.738736695e-01 -2.218848628e-01 4.28 -7.952327905e-02 -1.661462911e-01 -2.134976754e-01 4.30 -7.483749539e-02 -1.587510390e-01 -2.055210167e-01 4.32 -7.021846848e-02 -1.516758320e-01 -1.979190613e-01 4.34 -6.566502738e-02 -1.449116172e-01 -1.906600258e-01 4.36 -6.118021419e-02 -1.384512324e-01 -1.837155759e-01 4.38 -5.677131927e-02 -1.322883232e-01 -1.770603158e-01 4.40 -5.244970542e-02 -1.264163873e-01 -1.706713488e-01 4.42 -4.823038889e-02 -1.208280109e-01 -1.645278987e-01 4.44 -4.413134192e-02 -1.155143403e-01 -1.586109838e-01 4.46 -4.017253635e-02 -1.104648022e-01 -1.529031381e-01 4.48 -3.637477610e-02 -1.056668919e-01 -1.473881726e-01 4.50 -3.275840815e-02 -1.011066485e-01 -1.420509716e-01 4.52 -2.934202880e-02 -9.676894370e-02 -1.368773215e-01 4.54 -2.614125512e-02 -9.263762620e-02 -1.318537757e-01 4.56 -2.316744497e-02 -8.869594634e-02 -1.269675326e-01 4.58 -2.042814326e-02 -8.492696149e-02 -1.222063569e-01 4.60 -1.792624854e-02 -8.131389529e-02 -1.175585199e-01 4.62 -1.565994303e-02 -7.784043726e-02 -1.130127702e-01 4.64 -1.362311726e-02 -7.449098173e-02 -1.085583330e-01 4.66 -1.180601929e-02 -7.125081239e-02 -1.041849408e-01 4.68 -1.019603549e-02 -6.810624424e-02 -9.988289726e-02 4.70 -8.778514127e-03 -6.504473617e-02 -9.564317470e-02 4.72 -7.537557604e-03 -6.205498703e-02 -9.145754752e-02 4.74 -6.456730016e-03 -5.912702601e-02 -8.731875941e-02 4.76 -5.519648615e-03 -5.625230506e-02 -8.322072223e-02 4.78 -4.710446695e-03 -5.342379692e-02 -7.915874043e-02 4.80 -4.014110298e-03 -5.063609753e-02 -7.512975119e-02 4.82 -3.416700984e-03 -4.788553101e-02 -7.113256587e-02 4.84 -2.905482274e-03 -4.517023821e-02 -6.716809399e-02 4.86 -2.468969216e-03 -4.249024760e-02 -6.323952592e-02 4.88 -2.096920061e-03 -3.984750223e-02 -5.935244811e-02 4.90 -1.780286887e-03 -3.724582885e-02 -5.551486319e-02 4.92 -1.511139306e-03 -3.469083231e-02 -5.173709058e-02 4.94 -1.282572516e-03 -3.218970254e-02 -4.803152867e-02 4.96 -1.088608232e-03 -2.975092875e-02 -4.441227108e-02 4.98 -9.240946172e-04 -2.738392639e-02 -4.089458590e-02 5.00 -7.846094424e-04 -2.509859083e-02 -3.749427955e-02 5.02 -6.663691662e-04 -2.290480427e-02 -3.422698545e-02 5.04 -5.661454586e-04 -2.081192974e-02 -3.110742931e-02 5.06 -4.811898509e-04 -1.882833114e-02 -2.814872949e-02 5.08 -4.091666484e-04 -1.696085112e-02 -2.536163328e-02 5.10 -3.480938329e-04 -1.521451134e-02 -2.275407514e-02 5.12 -2.962914416e-04 -1.359273077e-02 -2.033152324e-02 5.14 -2.523367976e-04 -1.209688067e-02 -1.809632099e-02 5.16 -2.150259057e-04 -1.072631330e-02 -1.604773777e-02 5.18 -1.833403169e-04 -9.478515758e-03 -1.418220702e-02 5.20 -1.564187912e-04 -8.349345086e-03 -1.249368499e-02 5.22 -1.335331464e-04 -7.333316103e-03 -1.097408768e-02 5.24 -1.140677232e-04 -6.423913875e-03 -9.613763833e-03 5.26 -9.750196022e-05 -5.613905849e-03 -8.401966762e-03 5.28 -8.339563314e-05 -4.895634012e-03 -7.327295628e-03 5.30 -7.137636773e-05 -4.261273444e-03 -6.378085799e-03 5.32 -6.112908649e-05 -3.703049439e-03 -5.542736672e-03 5.34 -5.238709531e-05 -3.213410429e-03 -4.809972839e-03 5.36 -4.492456116e-05 -2.785157771e-03 -4.169040274e-03 5.38 -3.855016560e-05 -2.411536140e-03 -3.609843177e-03 5.40 -3.310175074e-05 -2.086289799e-03 -3.123029440e-03 5.42 -2.844180370e-05 -1.803690690e-03 -2.700033671e-03 5.44 -2.445364811e-05 -1.558544264e-03 -2.333086687e-03 5.46 -2.103823143e-05 -1.346178545e-03 -2.015199736e-03 5.48 -1.811141411e-05 -1.162421220e-03 -1.740130667e-03 5.50 -1.560168207e-05 -1.003568788e-03 -1.502338093e-03 5.52 -1.344821561e-05 -8.663509778e-04 -1.296928399e-03 5.54 -1.159925840e-05 -7.478929411e-04 -1.119599049e-03 5.56 -1.001073953e-05 -6.456770816e-04 -9.665828252e-04 5.58 -8.645108878e-06 -5.575058337e-04 -8.345903152e-04 5.60 -7.470352149e-06 -4.814662914e-04 -7.207583671e-04 5.62 -6.459157490e-06 -4.158972391e-04 -6.226004529e-04 5.64 -5.588210017e-06 -3.593588855e-04 -5.379614061e-04 5.66 -4.837594291e-06 -3.106054127e-04 -4.649763613e-04 5.68 -4.190287850e-06 -2.685603225e-04 -4.020338721e-04 5.70 -3.631731760e-06 -2.322944722e-04 -3.477430473e-04 5.72 -3.149466239e-06 -2.010066352e-04 -3.009044635e-04 5.74 -2.732821292e-06 -1.740063921e-04 -2.604845606e-04 5.76 -2.372653873e-06 -1.506991402e-04 -2.255932073e-04 5.78 -2.061124491e-06 -1.305730099e-04 -1.954641197e-04 5.80 -1.791507191e-06 -1.131874836e-04 -1.694378254e-04 5.82 -1.558027822e-06 -9.816351879e-05 -1.469468802e-04 5.84 -1.355726298e-06 -8.517499909e-05 -1.275030713e-04 5.86 -1.180339241e-06 -7.394134576e-05 -1.106863570e-04 5.88 -1.028199899e-06 -6.422114338e-05 -9.613532489e-05 5.90 -8.961527544e-07 -5.580664671e-05 -8.353896869e-05 5.92 -7.814806276e-07 -4.851905209e-05 -7.262960938e-05 5.94 -6.818424025e-07 -4.220442992e-05 -6.317680610e-05 5.96 -5.952197907e-07 -3.673022833e-05 -5.498212195e-05 5.98 -5.198718002e-07 -3.198226910e-05 -4.787462670e-05 6.00 -4.542957703e-07 -2.786216746e-05 -4.170703406e-05