# 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 = PbTi3 # 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 3.913058065e+02 nan nan 1.16 3.619703478e+02 nan nan 1.18 3.349499490e+02 nan nan 1.20 3.100440775e+02 nan nan 1.22 2.870701710e+02 nan nan 1.24 2.658627015e+02 nan nan 1.26 2.462720557e+02 nan nan 1.28 2.281627299e+02 3.425212850e+02 3.890524678e+02 1.30 2.114119542e+02 3.189961075e+02 3.628701907e+02 1.32 1.959086600e+02 2.971608750e+02 3.385398937e+02 1.34 1.815524463e+02 2.768804908e+02 3.159162630e+02 1.36 1.682523981e+02 2.580307738e+02 2.948669298e+02 1.38 1.559257243e+02 2.404986858e+02 2.752710840e+02 1.40 1.444966360e+02 2.241823298e+02 2.570183857e+02 1.42 1.338955871e+02 2.089900240e+02 2.400081716e+02 1.44 1.240586316e+02 1.948387128e+02 2.241485733e+02 1.46 1.149267942e+02 1.816524019e+02 2.093554566e+02 1.48 1.064457010e+02 1.693610142e+02 1.955513650e+02 1.50 9.856556555e+01 1.578997405e+02 1.826647797e+02 1.52 9.124118631e+01 1.472087077e+02 1.706297137e+02 1.54 8.443155849e+01 1.372326614e+02 1.593854705e+02 1.56 7.809913502e+01 1.279205336e+02 1.488763388e+02 1.58 7.220917825e+01 1.192249888e+02 1.390511420e+02 1.60 6.672945430e+01 1.111021084e+02 1.298627614e+02 1.62 6.163014188e+01 1.035113334e+02 1.212677143e+02 1.64 5.688369811e+01 9.641551681e+01 1.132257498e+02 1.66 5.246459082e+01 8.978082291e+01 1.056994317e+02 1.68 4.834906150e+01 8.357633603e+01 9.865375773e+01 1.70 4.451553165e+01 7.777354163e+01 9.205595341e+01 1.72 4.094852256e+01 7.234585963e+01 8.587549316e+01 1.74 3.763232497e+01 6.726832700e+01 8.008418419e+01 1.76 3.454922868e+01 6.251741182e+01 7.465611114e+01 1.78 3.168304235e+01 5.807093750e+01 6.956739896e+01 1.80 2.901883780e+01 5.390810806e+01 6.479589854e+01 1.82 2.654276206e+01 5.000960317e+01 6.032090780e+01 1.84 2.424191327e+01 4.635777141e+01 5.612301723e+01 1.86 2.210424025e+01 4.293730751e+01 5.218408530e+01 1.88 2.011845031e+01 3.973828193e+01 4.848730392e+01 1.90 1.827395032e+01 3.674757979e+01 4.501751743e+01 1.92 1.656083436e+01 3.395174496e+01 4.176296503e+01 1.94 1.496989778e+01 3.133817700e+01 3.871467730e+01 1.96 1.349262352e+01 2.889504816e+01 3.586001589e+01 1.98 1.212113713e+01 2.661126075e+01 3.318693833e+01 2.00 1.084813906e+01 2.447640777e+01 3.068405469e+01 2.02 9.666832542e+00 2.248072352e+01 2.834059241e+01 2.04 8.570858886e+00 2.061503380e+01 2.614639127e+01 2.06 7.554258481e+00 1.887073650e+01 2.409191349e+01 2.08 6.611455078e+00 1.723982464e+01 2.216826379e+01 2.10 5.737260574e+00 1.571493006e+01 2.036719030e+01 2.12 4.926881322e+00 1.428933931e+01 1.868105876e+01 2.14 4.175915091e+00 1.295695141e+01 1.710279135e+01 2.16 3.480333344e+00 1.171219011e+01 1.562578312e+01 2.18 2.836443963e+00 1.054990093e+01 1.424381932e+01 2.20 2.240842004e+00 9.465256181e+00 1.295101056e+01 2.22 1.690353590e+00 8.453683463e+00 1.174177319e+01 2.24 1.181996844e+00 7.510815218e+00 1.061082851e+01 2.26 7.129641190e-01 6.632459371e+00 9.553217868e+00 2.28 2.806209777e-01 5.814585232e+00 8.564307508e+00 2.30 -1.174892483e-01 5.053329127e+00 7.639773938e+00 2.32 -4.836438732e-01 4.345000026e+00 6.775582534e+00 2.34 -8.199475007e-01 3.686099837e+00 5.967965608e+00 2.36 -1.128349467e+00 3.073334790e+00 5.213408554e+00 2.38 -1.410661044e+00 2.503625742e+00 4.508641485e+00 2.40 -1.668580485e+00 1.974108729e+00 3.850638714e+00 2.42 -1.903711306e+00 1.482127103e+00 3.236611584e+00 2.44 -2.117577374e+00 1.025217209e+00 2.663996287e+00 2.46 -2.311632163e+00 6.010926084e-01 2.130431224e+00 2.48 -2.487261984e+00 2.076283720e-01 1.633725818e+00 2.50 -2.645784402e+00 -1.571523077e-01 1.171825783e+00 2.52 -2.788453867e+00 -4.950881507e-01 7.427778527e-01 2.54 -2.916602655e+00 -8.078863833e-01 3.447008377e-01 2.56 -3.031238416e+00 -1.097127395e+00 -2.423563270e-02 2.58 -3.133236579e+00 -1.364270146e+00 -3.658209521e-01 2.60 -3.223456391e+00 -1.610660634e+00 -6.818007059e-01 2.62 -3.302731628e+00 -1.837543409e+00 -9.738619976e-01 2.64 -3.371861103e+00 -2.046077727e+00 -1.243615151e+00 2.66 -3.431597763e+00 -2.237348288e+00 -1.492570620e+00 2.68 -3.482635575e+00 -2.412379617e+00 -1.722129588e+00 2.70 -3.525429545e+00 -2.572144367e+00 -1.933581428e+00 2.72 -3.560214036e+00 -2.717568962e+00 -2.128110256e+00 2.74 -3.587248797e+00 -2.849538635e+00 -2.306805809e+00 2.76 -3.606823674e+00 -2.968989870e+00 -2.470675064e+00 2.78 -3.619250837e+00 -3.076732269e+00 -2.620652821e+00 2.80 -3.624859964e+00 -3.173400055e+00 -2.757611235e+00 2.82 -3.623994046e+00 -3.259598235e+00 -2.882368655e+00 2.84 -3.617007799e+00 -3.335918286e+00 -2.995812159e+00 2.86 -3.604265757e+00 -3.402936514e+00 -3.098669712e+00 2.88 -3.586140254e+00 -3.461213810e+00 -3.191515724e+00 2.90 -3.563007100e+00 -3.511296025e+00 -3.274923193e+00 2.92 -3.535239307e+00 -3.553702521e+00 -3.349456549e+00 2.94 -3.503203436e+00 -3.588796518e+00 -3.415662239e+00 2.96 -3.467248018e+00 -3.616804567e+00 -3.474058324e+00 2.98 -3.427704357e+00 -3.637973160e+00 -3.525131637e+00 3.00 -3.384887266e+00 -3.652598899e+00 -3.569327270e+00 3.02 -3.339101679e+00 -3.661022925e+00 -3.606952771e+00 3.04 -3.290652277e+00 -3.663621772e+00 -3.638131512e+00 3.06 -3.239852949e+00 -3.660796614e+00 -3.662999681e+00 3.08 -3.187032475e+00 -3.652953607e+00 -3.681722493e+00 3.10 -3.132533547e+00 -3.640489921e+00 -3.694489369e+00 3.12 -3.076704176e+00 -3.623779543e+00 -3.701509066e+00 3.14 -3.019899422e+00 -3.603168606e+00 -3.703004950e+00 3.16 -2.962452819e+00 -3.578970311e+00 -3.699210750e+00 3.18 -2.904600181e+00 -3.551470681e+00 -3.690367231e+00 3.20 -2.846537091e+00 -3.520932477e+00 -3.676720095e+00 3.22 -2.788420530e+00 -3.487599479e+00 -3.658520127e+00 3.24 -2.730373252e+00 -3.451699380e+00 -3.636023953e+00 3.26 -2.672491176e+00 -3.413445228e+00 -3.609497657e+00 3.28 -2.614851210e+00 -3.373035937e+00 -3.579220701e+00 3.30 -2.557516126e+00 -3.330656502e+00 -3.545489744e+00 3.32 -2.500532410e+00 -3.286478414e+00 -3.508620582e+00 3.34 -2.443941652e+00 -3.240660549e+00 -3.468946577e+00 3.36 -2.387786901e+00 -3.193350592e+00 -3.426812556e+00 3.38 -2.332112553e+00 -3.144687010e+00 -3.382564440e+00 3.40 -2.276964189e+00 -3.094801405e+00 -3.336536375e+00 3.42 -2.222386438e+00 -3.043842227e+00 -3.289038192e+00 3.44 -2.168426185e+00 -2.991944191e+00 -3.240346036e+00 3.46 -2.115124328e+00 -2.939210302e+00 -3.190697924e+00 3.48 -2.062519859e+00 -2.885755943e+00 -3.140294368e+00 3.50 -2.010647944e+00 -2.831710572e+00 -3.089306763e+00 3.52 -1.959540053e+00 -2.777217687e+00 -3.037905549e+00 3.54 -1.909223617e+00 -2.722432550e+00 -2.986189101e+00 3.56 -1.859722572e+00 -2.667517339e+00 -2.934238191e+00 3.58 -1.811057497e+00 -2.612634050e+00 -2.882127662e+00 3.60 -1.763245783e+00 -2.557934463e+00 -2.829927432e+00 3.62 -1.716301744e+00 -2.503547484e+00 -2.777702783e+00 3.64 -1.670236681e+00 -2.449580552e+00 -2.725514352e+00 3.66 -1.625058926e+00 -2.396118640e+00 -2.673418153e+00 3.68 -1.580773905e+00 -2.343224523e+00 -2.621465630e+00 3.70 -1.537384217e+00 -2.290941636e+00 -2.569701063e+00 3.72 -1.494889745e+00 -2.239298420e+00 -2.518160007e+00 3.74 -1.453287816e+00 -2.188313034e+00 -2.466875959e+00 3.76 -1.412573402e+00 -2.137997576e+00 -2.415880994e+00 3.78 -1.372739382e+00 -2.088361316e+00 -2.365205810e+00 3.80 -1.333776859e+00 -2.039412847e+00 -2.314879699e+00 3.82 -1.295675524e+00 -1.991161251e+00 -2.264930487e+00 3.84 -1.258424062e+00 -1.943616531e+00 -2.215384466e+00 3.86 -1.222010568e+00 -1.896789575e+00 -2.166266374e+00 3.88 -1.186422952e+00 -1.850691863e+00 -2.117599462e+00 3.90 -1.151649304e+00 -1.805335068e+00 -2.069405703e+00 3.92 -1.117677848e+00 -1.760730234e+00 -2.021705677e+00 3.94 -1.084498565e+00 -1.716889168e+00 -1.974521089e+00 3.96 -1.052101056e+00 -1.673821324e+00 -1.927872360e+00 3.98 -1.020476113e+00 -1.631535496e+00 -1.881781614e+00 4.00 -9.896151992e-01 -1.590039067e+00 -1.836272926e+00 4.02 -9.595102772e-01 -1.549337829e+00 -1.791373020e+00 4.04 -9.301535794e-01 -1.509435834e+00 -1.747111679e+00 4.06 -9.015373527e-01 -1.470335294e+00 -1.703521665e+00 4.08 -8.736536007e-01 -1.432036502e+00 -1.660638036e+00 4.10 -8.464938412e-01 -1.394536515e+00 -1.618496794e+00 4.12 -8.200488971e-01 -1.357834532e+00 -1.577132974e+00 4.14 -7.943087258e-01 -1.321923453e+00 -1.536578395e+00 4.16 -7.692622939e-01 -1.286795898e+00 -1.496859431e+00 4.18 -7.448974945e-01 -1.252442733e+00 -1.457995176e+00 4.20 -7.212009657e-01 -1.218853215e+00 -1.419996297e+00 4.22 -6.981586656e-01 -1.186015174e+00 -1.382864750e+00 4.24 -6.757549771e-01 -1.153915226e+00 -1.346594331e+00 4.26 -6.539733996e-01 -1.122539030e+00 -1.311171889e+00 4.28 -6.327964417e-01 -1.091871558e+00 -1.276578966e+00 4.30 -6.122057005e-01 -1.061897393e+00 -1.242793562e+00 4.32 -5.921819507e-01 -1.032601019e+00 -1.209791827e+00 4.34 -5.727052425e-01 -1.003967101e+00 -1.177549485e+00 4.36 -5.537543848e-01 -9.759807370e-01 -1.146042956e+00 4.38 -5.353096565e-01 -9.486276536e-01 -1.115250121e+00 4.40 -5.173488609e-01 -9.218943518e-01 -1.085150787e+00 4.42 -4.998503283e-01 -8.957681779e-01 -1.055726905e+00 4.44 -4.827923443e-01 -8.702373265e-01 -1.026962582e+00 4.46 -4.661533741e-01 -8.452907765e-01 -9.988439676e-01 4.48 -4.499123462e-01 -8.209181694e-01 -9.713590471e-01 4.50 -4.340490063e-01 -7.971096450e-01 -9.444973779e-01 4.52 -4.185438519e-01 -7.738556487e-01 -9.182482443e-01 4.54 -4.033807468e-01 -7.511467287e-01 -8.926068755e-01 4.56 -3.885442404e-01 -7.289733366e-01 -8.675639666e-01 4.58 -3.740225070e-01 -7.073256459e-01 -8.431125521e-01 4.60 -3.598073975e-01 -6.861933985e-01 -8.192459031e-01 4.62 -3.458950294e-01 -6.655657849e-01 -7.959573365e-01 4.64 -3.322862252e-01 -6.454313657e-01 -7.732400622e-01 4.66 -3.189866981e-01 -6.257780348e-01 -7.510870660e-01 4.68 -3.060068864e-01 -6.065930292e-01 -7.294910266e-01 4.70 -2.933613651e-01 -5.878629853e-01 -7.084442635e-01 4.72 -2.810678069e-01 -5.695740449e-01 -6.879387097e-01 4.74 -2.691455349e-01 -5.517120129e-01 -6.679659064e-01 4.76 -2.576137793e-01 -5.342625696e-01 -6.485170137e-01 4.78 -2.464898177e-01 -5.172115381e-01 -6.295828322e-01 4.80 -2.357872144e-01 -5.005443889e-01 -6.111538343e-01 4.82 -2.255143698e-01 -4.842500198e-01 -5.932201987e-01 4.84 -2.156735477e-01 -4.683158492e-01 -5.757718480e-01 4.86 -2.062604729e-01 -4.527319659e-01 -5.587984855e-01 4.88 -1.972645039e-01 -4.374905916e-01 -5.422896313e-01 4.90 -1.886693073e-01 -4.225864772e-01 -5.262346550e-01 4.92 -1.804539083e-01 -4.080172090e-01 -5.106228051e-01 4.94 -1.725939679e-01 -3.937833764e-01 -4.954432349e-01 4.96 -1.650631437e-01 -3.798885479e-01 -4.806850239e-01 4.98 -1.578344171e-01 -3.663390183e-01 -4.663371942e-01 5.00 -1.508813023e-01 -3.531433086e-01 -4.523887243e-01 5.02 -1.441788852e-01 -3.403114310e-01 -4.388285565e-01 5.04 -1.377046651e-01 -3.278539698e-01 -4.256456023e-01 5.06 -1.314391903e-01 -3.157810571e-01 -4.128287422e-01 5.08 -1.253664836e-01 -3.041013490e-01 -4.003668230e-01 5.10 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-2.235024502e-01 5.46 -4.290171471e-02 -1.483312912e-01 -2.155291581e-01 5.48 -4.023397274e-02 -1.425411459e-01 -2.076641465e-01 5.50 -3.770140492e-02 -1.368751293e-01 -1.998950166e-01 5.52 -3.529715734e-02 -1.313195508e-01 -1.922101378e-01 5.54 -3.301452523e-02 -1.258618677e-01 -1.845984883e-01 5.56 -3.084698383e-02 -1.204908998e-01 -1.770518622e-01 5.58 -2.878821810e-02 -1.151970676e-01 -1.695623306e-01 5.60 -2.683216261e-02 -1.099726447e-01 -1.621246543e-01 5.62 -2.497305703e-02 -1.048120111e-01 -1.547361597e-01 5.64 -2.320547626e-02 -9.971188944e-02 -1.473971190e-01 5.66 -2.152426600e-02 -9.467154328e-02 -1.401110781e-01 5.68 -1.992508105e-02 -8.969291047e-02 -1.328850942e-01 5.70 -1.840421520e-02 -8.478064916e-02 -1.257298429e-01 5.72 -1.695859420e-02 -7.994207050e-02 -1.186595585e-01 5.74 -1.558578970e-02 -7.518693892e-02 -1.116917772e-01 5.76 -1.428399344e-02 -7.052713110e-02 -1.048468679e-01 5.78 -1.305194976e-02 -6.597615800e-02 -9.814735618e-02 5.80 -1.188884912e-02 -6.154856619e-02 -9.161706321e-02 5.82 -1.079419056e-02 -5.725925360e-02 -8.528011682e-02 5.84 -9.767624727e-03 -5.312274926e-02 -7.915990177e-02 5.86 -8.808791812e-03 -4.915250941e-02 -7.327802948e-02 5.88 -7.917169143e-03 -4.536028481e-02 -6.765341298e-02 5.90 -7.091941794e-03 -4.175561049e-02 -6.230151509e-02 5.92 -6.331906382e-03 -3.834527094e-02 -5.723382961e-02 5.94 -5.635413894e-03 -3.513296577e-02 -5.245762280e-02 5.96 -5.000352674e-03 -3.212049013e-02 -4.797592991e-02 5.98 -4.424168441e-03 -2.930699480e-02 -4.378777907e-02 6.00 -3.903914892e-03 -2.668918413e-02 -3.988814671e-02