# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = Ni3Ti # 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 2025-07-01 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 7.187570722e+02 nan nan 0.92 6.420052911e+02 nan nan 0.94 5.725655307e+02 nan nan 0.96 5.101436133e+02 nan nan 0.98 4.543094563e+02 6.979755234e+02 nan 1.00 4.045595795e+02 6.319760037e+02 nan 1.02 3.603610551e+02 5.720698430e+02 6.822337674e+02 1.04 3.208800182e+02 5.170648478e+02 6.211326430e+02 1.06 2.854226972e+02 4.660644007e+02 5.634865025e+02 1.08 2.537037649e+02 4.191736209e+02 5.097070904e+02 1.10 2.254170330e+02 3.763520944e+02 4.599802514e+02 1.12 2.002515572e+02 3.374588881e+02 4.143271924e+02 1.14 1.779032772e+02 3.022884395e+02 3.726547601e+02 1.16 1.580824962e+02 2.705969207e+02 3.347933200e+02 1.18 1.405183555e+02 2.421213145e+02 3.005249910e+02 1.20 1.249611793e+02 2.165929879e+02 2.696044736e+02 1.22 1.111833360e+02 1.937471110e+02 2.417741809e+02 1.24 9.897908702e+01 1.733289692e+02 2.167750155e+02 1.26 8.816377422e+01 1.550979764e+02 1.943538494e+02 1.28 7.857259719e+01 1.388299997e+02 1.742685141e+02 1.30 7.005915803e+01 1.243184707e+02 1.562909409e+02 1.32 6.249390327e+01 1.113746345e+02 1.402089337e+02 1.34 5.576254644e+01 9.982720385e+01 1.258269509e+02 1.36 4.976453019e+01 8.952162248e+01 1.129661866e+02 1.38 4.441156084e+01 8.031907869e+01 1.014641603e+02 1.40 3.962624823e+01 7.209538249e+01 9.117398686e+01 1.42 3.534085693e+01 6.473978185e+01 8.196344451e+01 1.44 3.149617076e+01 5.815376977e+01 7.371392793e+01 1.46 2.804046992e+01 5.224992341e+01 6.631935662e+01 1.48 2.492861513e+01 4.695079801e+01 5.968508059e+01 1.50 2.212123278e+01 4.218789053e+01 5.372681598e+01 1.52 1.958399311e+01 3.790068262e+01 4.836963357e+01 1.54 1.728697335e+01 3.403576277e+01 4.354700831e+01 1.56 1.520409715e+01 3.054602958e+01 3.919993992e+01 1.58 1.331264311e+01 2.738997327e+01 3.527614723e+01 1.60 1.159281386e+01 2.453102984e+01 3.172933325e+01 1.62 1.002735946e+01 2.193700460e+01 2.851852183e+01 1.64 8.601248128e+00 1.957955885e+01 2.560746052e+01 1.66 7.301341442e+00 1.743375356e+01 2.296408022e+01 1.68 6.115994226e+00 1.547764566e+01 2.056000843e+01 1.70 5.034806194e+00 1.369193090e+01 1.837014313e+01 1.72 4.048480778e+00 1.205962820e+01 1.637227650e+01 1.74 3.148703131e+00 1.056580156e+01 1.454676188e+01 1.76 2.328032603e+00 9.197295525e+00 1.287621817e+01 1.78 1.579807887e+00 7.942435569e+00 1.134526869e+01 1.80 8.980632306e-01 6.790813162e+00 9.940310402e+00 1.82 2.774427065e-01 5.733143267e+00 8.649309685e+00 1.84 -2.869218335e-01 4.761140398e+00 7.461622162e+00 1.86 -7.994877691e-01 3.867408787e+00 6.367833516e+00 1.88 -1.264338413e+00 3.045344914e+00 5.359618615e+00 1.90 -1.685215140e+00 2.289051223e+00 4.429617238e+00 1.92 -2.065546701e+00 1.593259474e+00 3.571324004e+00 1.94 -2.408475953e+00 9.532626125e-01 2.778990916e+00 1.96 -2.716884244e+00 3.648542949e-01 2.047541158e+00 1.98 -2.993413686e+00 -1.757250635e-01 1.372492498e+00 2.00 -3.240487538e+00 -6.718363610e-01 7.498893098e-01 2.02 -3.460330085e+00 -1.126488523e+00 1.762364492e-01 2.04 -3.654997546e+00 -1.542426728e+00 -3.516293260e-01 2.06 -3.826404815e+00 -1.922219571e+00 -8.366665155e-01 2.08 -3.976336051e+00 -2.268279075e+00 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-4.747563135e+00 -4.781182016e+00 2.46 -4.400352393e+00 -4.757733766e+00 -4.819163957e+00 2.48 -4.354250561e+00 -4.760450855e+00 -4.847703348e+00 2.50 -4.305187585e+00 -4.756324678e+00 -4.867525962e+00 2.52 -4.253509159e+00 -4.745925033e+00 -4.879310876e+00 2.54 -4.199534385e+00 -4.729783733e+00 -4.883693289e+00 2.56 -4.143557623e+00 -4.708396949e+00 -4.881267159e+00 2.58 -4.085850207e+00 -4.682227409e+00 -4.872587699e+00 2.60 -4.026662059e+00 -4.651706478e+00 -4.858173728e+00 2.62 -3.966223187e+00 -4.617236107e+00 -4.838509874e+00 2.64 -3.904745087e+00 -4.579190669e+00 -4.814048659e+00 2.66 -3.842422052e+00 -4.537918687e+00 -4.785212462e+00 2.68 -3.779432393e+00 -4.493744458e+00 -4.752395359e+00 2.70 -3.715939576e+00 -4.446969581e+00 -4.715964860e+00 2.72 -3.652093287e+00 -4.397874390e+00 -4.676263552e+00 2.74 -3.588030420e+00 -4.346719307e+00 -4.633610626e+00 2.76 -3.523876002e+00 -4.293746110e+00 -4.588303336e+00 2.78 -3.459744055e+00 -4.239179122e+00 -4.540618355e+00 2.80 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-3.496724865e+00 3.16 -2.343822500e+00 -3.104007700e+00 -3.436730567e+00 3.18 -2.292559131e+00 -3.045747337e+00 -3.377088500e+00 3.20 -2.242201301e+00 -2.988065484e+00 -3.317848788e+00 3.22 -2.192752784e+00 -2.930994301e+00 -3.259056874e+00 3.24 -2.144215681e+00 -2.874562454e+00 -3.200753844e+00 3.26 -2.096590578e+00 -2.818795371e+00 -3.142976723e+00 3.28 -2.049876674e+00 -2.763715478e+00 -3.085758767e+00 3.30 -2.004071917e+00 -2.709342419e+00 -3.029129724e+00 3.32 -1.959173114e+00 -2.655693263e+00 -2.973116085e+00 3.34 -1.915176043e+00 -2.602782697e+00 -2.917741316e+00 3.36 -1.872075551e+00 -2.550623208e+00 -2.863026079e+00 3.38 -1.829865651e+00 -2.499225250e+00 -2.808988432e+00 3.40 -1.788539601e+00 -2.448597400e+00 -2.755644024e+00 3.42 -1.748089987e+00 -2.398746508e+00 -2.703006271e+00 3.44 -1.708508794e+00 -2.349677829e+00 -2.651086526e+00 3.46 -1.669787474e+00 -2.301395156e+00 -2.599894231e+00 3.48 -1.631917003e+00 -2.253900936e+00 -2.549501869e+00 3.50 -1.594887942e+00 -2.207196378e+00 -2.501500175e+00 3.52 -1.558690489e+00 -2.161281563e+00 -2.458778424e+00 3.54 -1.523314519e+00 -2.116155534e+00 -2.414455193e+00 3.56 -1.488749638e+00 -2.071816389e+00 -2.367117685e+00 3.58 -1.454985214e+00 -2.028261361e+00 -2.320496610e+00 3.60 -1.422010416e+00 -1.985486900e+00 -2.274592658e+00 3.62 -1.389814248e+00 -1.943488739e+00 -2.229405538e+00 3.64 -1.358385577e+00 -1.902261967e+00 -2.184934056e+00 3.66 -1.327713162e+00 -1.861801085e+00 -2.141176194e+00 3.68 -1.297785676e+00 -1.822100070e+00 -2.098129180e+00 3.70 -1.268591730e+00 -1.783152423e+00 -2.055789553e+00 3.72 -1.240119892e+00 -1.744951219e+00 -2.014153227e+00 3.74 -1.212358705e+00 -1.707489157e+00 -1.973215548e+00 3.76 -1.185296700e+00 -1.670758599e+00 -1.932971345e+00 3.78 -1.158922416e+00 -1.634751608e+00 -1.893414983e+00 3.80 -1.133224406e+00 -1.599459991e+00 -1.854540407e+00 3.82 -1.108191249e+00 -1.564875323e+00 -1.816341185e+00 3.84 -1.083811562e+00 -1.530988986e+00 -1.778810549e+00 3.86 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