# 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 = TiW3 # 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 4.980438180e+02 nan nan 1.16 4.563466486e+02 nan nan 1.18 4.182172284e+02 nan nan 1.20 3.833133373e+02 nan nan 1.22 3.513306154e+02 nan nan 1.24 3.219958097e+02 nan nan 1.26 2.950622042e+02 nan nan 1.28 2.703087915e+02 4.277606742e+02 4.944221720e+02 1.30 2.475412462e+02 3.947623810e+02 4.571840309e+02 1.32 2.265917000e+02 3.643589546e+02 4.227838947e+02 1.34 2.073157070e+02 3.363224299e+02 3.909687549e+02 1.36 1.895870635e+02 3.104383800e+02 3.615169045e+02 1.38 1.732920600e+02 2.865084946e+02 3.342381161e+02 1.40 1.583245587e+02 2.643543787e+02 3.089680738e+02 1.42 1.445829689e+02 2.438201331e+02 2.855604552e+02 1.44 1.319693125e+02 2.247722396e+02 2.638808561e+02 1.46 1.203895350e+02 2.070967008e+02 2.438038680e+02 1.48 1.097542409e+02 1.906946408e+02 2.252119588e+02 1.50 9.997967823e+01 1.754781493e+02 2.079946442e+02 1.52 9.098892510e+01 1.613675402e+02 1.920476190e+02 1.54 8.271291516e+01 1.482900298e+02 1.772722501e+02 1.56 7.509088711e+01 1.361791138e+02 1.635757280e+02 1.58 6.807016448e+01 1.249738567e+02 1.508717490e+02 1.60 6.160542178e+01 1.146177374e+02 1.390813306e+02 1.62 5.565757757e+01 1.050572357e+02 1.281333022e+02 1.64 5.019238372e+01 9.624055234e+01 1.179641949e+02 1.66 4.517880606e+01 8.811672902e+01 1.085175060e+02 1.68 4.058744668e+01 8.063527837e+01 9.974253214e+01 1.70 3.638935464e+01 7.374633830e+01 9.159315060e+01 1.72 3.255545474e+01 6.740123534e+01 8.402693286e+01 1.74 2.905658839e+01 6.155320911e+01 7.700470799e+01 1.76 2.586396808e+01 5.615804416e+01 7.049042168e+01 1.78 2.294975100e+01 5.117453024e+01 6.445103433e+01 1.80 2.028841846e+01 4.656485086e+01 5.885625274e+01 1.82 1.785696805e+01 4.229499722e+01 5.367803259e+01 1.84 1.563218162e+01 3.833514892e+01 4.888996399e+01 1.86 1.359263953e+01 3.465983988e+01 4.446672231e+01 1.88 1.171875800e+01 3.124774191e+01 4.038369316e+01 1.90 9.993249638e+00 2.808104182e+01 3.661675567e+01 1.92 8.401326985e+00 2.514455453e+01 3.314216526e+01 1.94 6.930682010e+00 2.242480625e+01 2.993652461e+01 1.96 5.571237206e+00 1.990997253e+01 2.697688106e+01 1.98 4.314737202e+00 1.758940356e+01 2.424098602e+01 2.00 3.154283183e+00 1.545139686e+01 2.170770116e+01 2.02 2.083902456e+00 1.348415863e+01 1.935848807e+01 2.04 1.098208816e+00 1.167582759e+01 1.717701663e+01 2.06 1.921699292e-01 1.001452572e+01 1.514825215e+01 2.08 -6.390318910e-01 8.488431534e+00 1.325951691e+01 2.10 -1.400071993e+00 7.085933264e+00 1.150041268e+01 2.12 -2.095515926e+00 5.795845009e+00 9.862535649e+00 2.14 -2.729827110e+00 4.607651951e+00 8.339004804e+00 2.16 -3.307350931e+00 3.511740053e+00 6.923967980e+00 2.18 -3.832274484e+00 2.499562466e+00 5.612172297e+00 2.20 -4.308571795e+00 1.563706415e+00 4.398651421e+00 2.22 -4.739957021e+00 6.978498593e-01 3.278544212e+00 2.24 -5.129862442e+00 -1.033707243e-01 2.247019441e+00 2.26 -5.481442114e+00 -8.445393207e-01 1.299262546e+00 2.28 -5.797588264e+00 -1.529642323e+00 4.304818398e-01 2.30 -6.080946747e+00 -2.162222965e+00 -3.640865128e-01 2.32 -6.333925399e+00 -2.745497922e+00 -1.089177352e+00 2.34 -6.558695767e+00 -3.282436554e+00 -1.749493895e+00 2.36 -6.757192407e+00 -3.775812829e+00 -2.349699532e+00 2.38 -6.931113506e+00 -4.228239088e+00 -2.894401549e+00 2.40 -7.081927075e+00 -4.642189513e+00 -3.388124098e+00 2.42 -7.210880379e+00 -5.020016158e+00 -3.835269719e+00 2.44 -7.318785255e+00 -5.363957460e+00 -4.240069719e+00 2.46 -7.406637924e+00 -5.676139570e+00 -4.606527673e+00 2.48 -7.475517086e+00 -5.958571904e+00 -4.938363211e+00 2.50 -7.526393718e+00 -6.213139502e+00 -5.238965421e+00 2.52 -7.560179471e+00 -6.441594800e+00 -5.511364342e+00 2.54 -7.577763982e+00 -6.645551199e+00 -5.758226282e+00 2.56 -7.580037451e+00 -6.826480609e+00 -5.981872185e+00 2.58 -7.567710866e+00 -6.985716780e+00 -6.184313110e+00 2.60 -7.540480402e+00 -7.124465313e+00 -6.367293594e+00 2.62 -7.497860051e+00 -7.243819880e+00 -6.532334402e+00 2.64 -7.439572625e+00 -7.344660306e+00 -6.680770305e+00 2.66 -7.365538884e+00 -7.427862129e+00 -6.813781822e+00 2.68 -7.275904145e+00 -7.494462459e+00 -6.932423368e+00 2.70 -7.170887620e+00 -7.545532642e+00 -7.037594706e+00 2.72 -7.050915252e+00 -7.582104708e+00 -7.129975904e+00 2.74 -6.916671489e+00 -7.605183516e+00 -7.210553630e+00 2.76 -6.769127593e+00 -7.615752958e+00 -7.280272233e+00 2.78 -6.609559311e+00 -7.614776419e+00 -7.339990150e+00 2.80 -6.439529827e+00 -7.602963325e+00 -7.390485564e+00 2.82 -6.260704838e+00 -7.580471086e+00 -7.432457856e+00 2.84 -6.074850638e+00 -7.547310872e+00 -7.466526598e+00 2.86 -5.883851767e+00 -7.503454887e+00 -7.493228930e+00 2.88 -5.689592440e+00 -7.448988927e+00 -7.512864078e+00 2.90 -5.493835667e+00 -7.384174574e+00 -7.525118847e+00 2.92 -5.298120043e+00 -7.309270101e+00 -7.529594738e+00 2.94 -5.103689307e+00 -7.224597260e+00 -7.525933476e+00 2.96 -4.911461783e+00 -7.130600513e+00 -7.513796973e+00 2.98 -4.722042171e+00 -7.027838537e+00 -7.492869853e+00 3.00 -4.535768005e+00 -6.916968471e+00 -7.462867887e+00 3.02 -4.352779965e+00 -6.798687627e+00 -7.423419502e+00 3.04 -4.173102198e+00 -6.673535465e+00 -7.374165126e+00 3.06 -3.996719199e+00 -6.542026011e+00 -7.314776905e+00 3.08 -3.823638274e+00 -6.404694258e+00 -7.244968281e+00 3.10 -3.653930416e+00 -6.262049135e+00 -7.164503384e+00 3.12 -3.487746994e+00 -6.114535647e+00 -7.073204911e+00 3.14 -3.325313961e+00 -5.962511681e+00 -6.970927075e+00 3.16 -3.166908807e+00 -5.806239943e+00 -6.857455193e+00 3.18 -3.012827563e+00 -5.645894519e+00 -6.732619714e+00 3.20 -2.863349556e+00 -5.481577874e+00 -6.596334530e+00 3.22 -2.718706615e+00 -5.313345073e+00 -6.448596925e+00 3.24 -2.579061511e+00 -5.141232191e+00 -6.289491818e+00 3.26 -2.444498127e+00 -4.965286768e+00 -6.119201880e+00 3.28 -2.315023659e+00 -4.785598825e+00 -5.938023903e+00 3.30 -2.190581165e+00 -4.602331268e+00 -5.746390807e+00 3.32 -2.071069203e+00 -4.415748391e+00 -5.544897163e+00 3.34 -1.956364463e+00 -4.226240867e+00 -5.334324852e+00 3.36 -1.846343238e+00 -4.034345207e+00 -5.115664581e+00 3.38 -1.740898503e+00 -3.840755361e+00 -4.890128854e+00 3.40 -1.639950733e+00 -3.646324161e+00 -4.659152481e+00 3.42 -1.543451956e+00 -3.452052843e+00 -4.424377810e+00 3.44 -1.451384255e+00 -3.259067558e+00 -4.187623251e+00 3.46 -1.363752569e+00 -3.068583641e+00 -3.950835185e+00 3.48 -1.280575241e+00 -2.881859442e+00 -3.716025232e+00 3.50 -1.201872312e+00 -2.700143335e+00 -3.485196672e+00 3.52 -1.127653671e+00 -2.524618450e+00 -3.260266323e+00 3.54 -1.057908318e+00 -2.356350161e+00 -3.042987695e+00 3.56 -9.925958637e-01 -2.196241089e+00 -2.834884506e+00 3.58 -9.316410427e-01 -2.044997509e+00 -2.637199488e+00 3.60 -8.749315624e-01 -1.903109649e+00 -2.450863212e+00 3.62 -8.223191618e-01 -1.770846754e+00 -2.276484276e+00 3.64 -7.736233825e-01 -1.648266104e+00 -2.114359574e+00 3.66 -7.286373112e-01 -1.535233694e+00 -1.964501224e+00 3.68 -6.871344711e-01 -1.431453281e+00 -1.826675429e+00 3.70 -6.488760820e-01 -1.336500070e+00 -1.700448143e+00 3.72 -6.136179017e-01 -1.249855499e+00 -1.585232830e+00 3.74 -5.811165439e-01 -1.170940210e+00 -1.480336451e+00 3.76 -5.511352069e-01 -1.099143209e+00 -1.385000950e+00 3.78 -5.234470953e-01 -1.033846101e+00 -1.298438622e+00 3.80 -4.978384046e-01 -9.744420716e-01 -1.219860709e+00 3.82 -4.741102641e-01 -9.203498312e-01 -1.148499293e+00 3.84 -4.520797661e-01 -8.710231020e-01 -1.083623061e+00 3.86 -4.315802618e-01 -8.259563724e-01 -1.024547796e+00 3.88 -4.124610982e-01 -7.846876912e-01 -9.706425412e-01 3.90 -3.945869537e-01 -7.467992228e-01 -9.213324000e-01 3.92 -3.778368845e-01 -7.119161576e-01 -8.760987856e-01 3.94 -3.621033188e-01 -6.797046967e-01 -8.344781147e-01 3.96 -3.472907491e-01 -6.498690163e-01 -7.960588909e-01 3.98 -3.333146467e-01 -6.221482258e-01 -7.604785304e-01 4.00 -3.201002832e-01 -5.963130044e-01 -7.274195534e-01 4.02 -3.075816371e-01 -5.721623080e-01 -6.966056384e-01 4.04 -2.957003794e-01 -5.495202093e-01 -6.677976072e-01 4.06 -2.844049451e-01 -5.282329467e-01 -6.407893947e-01 4.08 -2.736496963e-01 -5.081662134e-01 -6.154040300e-01 4.10 -2.633941734e-01 -4.892025293e-01 -5.914896598e-01 4.12 -2.536024315e-01 -4.712393757e-01 -5.689156760e-01 4.14 -2.442424563e-01 -4.541872122e-01 -5.475690464e-01 4.16 -2.352856517e-01 -4.379676509e-01 -5.273509770e-01 4.18 -2.267063932e-01 -4.225118534e-01 -5.081740284e-01 4.20 -2.184816394e-01 -4.077592590e-01 -4.899597804e-01 4.22 -2.105905952e-01 -3.936564685e-01 -4.726370705e-01 4.24 -2.030144195e-01 -3.801562698e-01 -4.561406853e-01 4.26 -1.957359733e-01 -3.672167919e-01 -4.404104828e-01 4.28 -1.887396011e-01 -3.548007731e-01 -4.253915667e-01 4.30 -1.820109428e-01 -3.428749289e-01 -4.110334242e-01 4.32 -1.755367705e-01 -3.314094082e-01 -3.972897196e-01 4.34 -1.693048471e-01 -3.203773238e-01 -3.841181611e-01 4.36 -1.633037604e-01 -3.097543498e-01 -3.714803287e-01 4.38 -1.575229983e-01 -2.995183737e-01 -3.593414527e-01 4.40 -1.519525697e-01 -2.896491979e-01 -3.476701521e-01 4.42 -1.465831235e-01 -2.801282815e-01 -3.364381457e-01 4.44 -1.414058241e-01 -2.709385183e-01 -3.256199512e-01 4.46 -1.364122869e-01 -2.620640439e-01 -3.151925872e-01 4.48 -1.315945218e-01 -2.534900699e-01 -3.051352882e-01 4.50 -1.269448816e-01 -2.452027387e-01 -2.954292392e-01 4.52 -1.224559860e-01 -2.371889989e-01 -2.860572322e-01 4.54 -1.181208020e-01 -2.294364963e-01 -2.770038801e-01 4.56 -1.139324108e-01 -2.219334797e-01 -2.682547528e-01 4.58 -1.098841065e-01 -2.146687205e-01 -2.597966842e-01 4.60 -1.059693257e-01 -2.076314434e-01 -2.516175039e-01 4.62 -1.021816146e-01 -2.008112702e-01 -2.437059136e-01 4.64 -9.851459812e-02 -1.941981739e-01 -2.360513810e-01 4.66 -9.496195054e-02 -1.877824464e-01 -2.286440486e-01 4.68 -9.151736852e-02 -1.815546783e-01 -2.214746560e-01 4.70 -8.817454612e-02 -1.755057537e-01 -2.145344730e-01 4.72 -8.492715302e-02 -1.696268619e-01 -2.078152420e-01 4.74 -8.176881666e-02 -1.639095261e-01 -2.013091290e-01 4.76 -7.869310974e-02 -1.583456533e-01 -1.950086803e-01 4.78 -7.569354458e-02 -1.529276052e-01 -1.889067862e-01 4.80 -7.276357668e-02 -1.476482488e-01 -1.829966481e-01 4.82 -6.989662009e-02 -1.425012444e-01 -1.772717504e-01 4.84 -6.708607761e-02 -1.374809017e-01 -1.717258354e-01 4.86 -6.432538957e-02 -1.325825107e-01 -1.663528809e-01 4.88 -6.160810489e-02 -1.278024290e-01 -1.611470804e-01 4.90 -5.892797838e-02 -1.231382031e-01 -1.561028244e-01 4.92 -5.627909788e-02 -1.185886548e-01 -1.512146842e-01 4.94 -5.365604343e-02 -1.141539114e-01 -1.464773961e-01 4.96 -5.105407952e-02 -1.098353615e-01 -1.418858471e-01 4.98 -4.846937705e-02 -1.056355201e-01 -1.374350611e-01 5.00 -4.589925965e-02 -1.015577989e-01 -1.331201856e-01 5.02 -4.334246192e-02 -9.760618644e-02 -1.289364795e-01 5.04 -4.079938146e-02 -9.378485900e-02 -1.248792998e-01 5.06 -3.827230034e-02 -9.009775516e-02 -1.209440903e-01 5.08 -3.576554652e-02 -8.654810591e-02 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-4.292802491e-02 -6.352515980e-02 5.46 -4.020858068e-03 -4.122672844e-02 -6.110561399e-02 5.48 -3.450275153e-03 -3.955788590e-02 -5.871462257e-02 5.50 -2.955493265e-03 -3.791673747e-02 -5.634802454e-02 5.52 -2.527952640e-03 -3.629900935e-02 -5.400197740e-02 5.54 -2.159642872e-03 -3.470095648e-02 -5.167304665e-02 5.56 -1.843189999e-03 -3.311941699e-02 -4.935842093e-02 5.58 -1.571898565e-03 -3.155187762e-02 -4.705591292e-02 5.60 -1.339758932e-03 -2.999654702e-02 -4.476420300e-02 5.62 -1.141429176e-03 -2.845243201e-02 -4.248296215e-02 5.64 -9.721996779e-04 -2.691941021e-02 -4.021299036e-02 5.66 -8.279469174e-04 -2.539829044e-02 -3.795633337e-02 5.68 -7.050815421e-04 -2.389085132e-02 -3.571636290e-02 5.70 -6.004944876e-04 -2.239984763e-02 -3.349780579e-02 5.72 -5.115038078e-04 -2.092897510e-02 -3.130670769e-02 5.74 -4.358039757e-04 -1.948278590e-02 -2.915032067e-02 5.76 -3.714187419e-04 -1.806654878e-02 -2.703690552e-02 5.78 -3.166581350e-04 -1.668592542e-02 -2.497525656e-02 5.80 -2.700798155e-04 -1.534698619e-02 -2.297473400e-02 5.82 -2.304547405e-04 -1.405592778e-02 -2.104484780e-02 5.84 -1.967369514e-04 -1.281869111e-02 -1.919469085e-02 5.86 -1.680371920e-04 -1.164068868e-02 -1.743253507e-02 5.88 -1.436000108e-04 -1.052656091e-02 -1.576547056e-02 5.90 -1.227839886e-04 -9.479980550e-03 -1.419911582e-02 5.92 -1.050447395e-04 -8.503518611e-03 -1.273741985e-02 5.94 -8.992034399e-05 -7.598578859e-03 -1.138256651e-02 5.96 -7.701890032e-05 -6.765400528e-03 -1.013498087e-02 5.98 -6.600791188e-05 -6.003122451e-03 -8.993427226e-03 6.00 -5.660525703e-05 -5.309896856e-03 -7.955181413e-03