# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Ti # implementation = 2025--Sharifi-H--Ni-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 8.260169807e+02 nan nan 0.92 7.772617327e+02 nan nan 0.94 7.290545583e+02 nan nan 0.96 6.817032373e+02 nan nan 0.98 6.355119749e+02 7.869666175e+02 nan 1.00 5.907587119e+02 7.445474230e+02 nan 1.02 5.476725615e+02 7.028226531e+02 8.224606388e+02 1.04 5.062848687e+02 6.615215487e+02 7.794831643e+02 1.06 4.667153376e+02 6.207402946e+02 7.364588059e+02 1.08 4.291045225e+02 5.807439216e+02 6.936768898e+02 1.10 3.935479979e+02 5.417725715e+02 6.514239791e+02 1.12 3.601003246e+02 5.040346266e+02 6.099692300e+02 1.14 3.287798790e+02 4.677034351e+02 5.695549871e+02 1.16 2.995740255e+02 4.329165758e+02 5.303912885e+02 1.18 2.724442947e+02 3.997768948e+02 4.926532983e+02 1.20 2.473313283e+02 3.683547303e+02 4.564808882e+02 1.22 2.241594538e+02 3.386908828e+02 4.219797567e+02 1.24 2.028408047e+02 3.107999834e+02 3.892235810e+02 1.26 1.832789457e+02 2.846740214e+02 3.582568355e+02 1.28 1.653719978e+02 2.602858506e+02 3.290979840e+02 1.30 1.490152763e+02 2.375925444e+02 3.017428201e+02 1.32 1.341034760e+02 2.165385276e+02 2.761678078e+02 1.34 1.205324396e+02 1.970584287e+02 2.523333006e+02 1.36 1.082005670e+02 1.790796289e+02 2.301865619e+02 1.38 9.700990830e+01 1.625245025e+02 2.096645447e+02 1.40 8.686691216e+01 1.473123509e+02 1.906963947e+02 1.42 7.768296804e+01 1.333610461e+02 1.732056744e+02 1.44 6.937475752e+01 1.205884031e+02 1.571123028e+02 1.46 6.186443992e+01 1.089133046e+02 1.423342141e+02 1.48 5.507970356e+01 9.825660218e+01 1.287887680e+02 1.50 4.895371247e+01 8.854182036e+01 1.163939219e+02 1.52 4.342496978e+01 7.969568788e+01 1.050691881e+02 1.54 3.843711967e+01 7.164851973e+01 9.473639590e+01 1.56 3.393870446e+01 6.433447031e+01 8.532028205e+01 1.58 2.988289200e+01 5.769168414e+01 7.674893142e+01 1.60 2.622718220e+01 5.166235700e+01 6.895408738e+01 1.62 2.293310588e+01 4.619272411e+01 6.187135225e+01 1.64 1.996592629e+01 4.123298974e+01 5.544029509e+01 1.66 1.729428975e+01 3.673720181e+01 4.960448175e+01 1.68 1.488977221e+01 3.266309050e+01 4.431144300e+01 1.70 1.272658503e+01 2.897188911e+01 3.951259228e+01 1.72 1.078135028e+01 2.562814189e+01 3.516310401e+01 1.74 9.032889197e+00 2.259950432e+01 3.122176304e+01 1.76 7.462029422e+00 1.985651871e+01 2.765079192e+01 1.78 6.051427248e+00 1.737235185e+01 2.441566307e+01 1.80 4.785403959e+00 1.512259269e+01 2.148490127e+01 1.82 3.649795304e+00 1.308509121e+01 1.882988605e+01 1.84 2.631813265e+00 1.123978456e+01 1.642465245e+01 1.86 1.719921118e+00 9.568524153e+00 1.424569351e+01 1.88 9.037364619e-01 8.054919249e+00 1.227176767e+01 1.90 1.739113557e-01 6.684185429e+00 1.048370862e+01 1.92 -4.779804460e-01 5.442994142e+00 8.864233119e+00 1.94 -1.059531326e+00 4.319334278e+00 7.397763405e+00 1.96 -1.577579674e+00 3.302386411e+00 6.070265611e+00 1.98 -2.038282705e+00 2.382407575e+00 4.869101264e+00 2.00 -2.447182766e+00 1.550626135e+00 3.782891501e+00 2.02 -2.809269730e+00 7.991403623e-01 2.801384661e+00 2.04 -3.129052290e+00 1.207861227e-01 1.915275597e+00 2.06 -3.410598501e+00 -4.909680762e-01 1.116064254e+00 2.08 -3.657571829e+00 -1.042077186e+00 3.959858943e-01 2.10 -3.873296641e+00 -1.537956292e+00 -2.520369627e-01 2.12 -4.060790856e+00 -1.983445465e+00 -8.344632370e-01 2.14 -4.222793166e+00 -2.382873857e+00 -1.357193977e+00 2.16 -4.361787780e+00 -2.740205453e+00 -1.825619373e+00 2.18 -4.479955760e+00 -3.059068909e+00 -2.244661704e+00 2.20 -4.579042196e+00 -3.342779343e+00 -2.618814810e+00 2.22 -4.660608937e+00 -3.594375752e+00 -2.952180239e+00 2.24 -4.726104504e+00 -3.816645293e+00 -3.248500360e+00 2.26 -4.776872570e+00 -4.012143822e+00 -3.511188788e+00 2.28 -4.814159885e+00 -4.183214742e+00 -3.743358257e+00 2.30 -4.839123615e+00 -4.332006337e+00 -3.947846191e+00 2.32 -4.852838009e+00 -4.460487732e+00 -4.127238220e+00 2.34 -4.856300434e+00 -4.570463552e+00 -4.283889714e+00 2.36 -4.850436818e+00 -4.663587406e+00 -4.419945566e+00 2.38 -4.836106614e+00 -4.741374301e+00 -4.537358338e+00 2.40 -4.814107375e+00 -4.805212032e+00 -4.637904857e+00 2.42 -4.785179019e+00 -4.856370819e+00 -4.723200175e+00 2.44 -4.750007834e+00 -4.895951610e+00 -4.794619511e+00 2.46 -4.709230235e+00 -4.924867112e+00 -4.853269285e+00 2.48 -4.663436274e+00 -4.943957969e+00 -4.900160874e+00 2.50 -4.613172757e+00 -4.954007666e+00 -4.936232487e+00 2.52 -4.558943099e+00 -4.955737909e+00 -4.962341730e+00 2.54 -4.501210905e+00 -4.949814293e+00 -4.979273641e+00 2.56 -4.440406161e+00 -4.936859210e+00 -4.987759574e+00 2.58 -4.376927626e+00 -4.917455555e+00 -4.988481424e+00 2.60 -4.311144925e+00 -4.892152910e+00 -4.982074949e+00 2.62 -4.243400486e+00 -4.861453026e+00 -4.969132862e+00 2.64 -4.174011349e+00 -4.825830915e+00 -4.950207719e+00 2.66 -4.103270861e+00 -4.785736347e+00 -4.925814591e+00 2.68 -4.031450255e+00 -4.741586087e+00 -4.896433570e+00 2.70 -3.958800120e+00 -4.693769771e+00 -4.862512095e+00 2.72 -3.885551790e+00 -4.642651603e+00 -4.824467127e+00 2.74 -3.812145276e+00 -4.588571953e+00 -4.782687168e+00 2.76 -3.740490357e+00 -4.531848848e+00 -4.737534155e+00 2.78 -3.668372346e+00 -4.472779371e+00 -4.689345203e+00 2.80 -3.594527525e+00 -4.411640965e+00 -4.638434241e+00 2.82 -3.521019208e+00 -4.348692652e+00 -4.585093520e+00 2.84 -3.447985778e+00 -4.284176176e+00 -4.529597927e+00 2.86 -3.375553388e+00 -4.218317065e+00 -4.472363029e+00 2.88 -3.303836676e+00 -4.151325642e+00 -4.414003104e+00 2.90 -3.232939434e+00 -4.083397960e+00 -4.353608910e+00 2.92 -3.162955212e+00 -4.014716702e+00 -4.291807911e+00 2.94 -3.093967892e+00 -3.945452023e+00 -4.228948880e+00 2.96 -3.026052207e+00 -3.875762360e+00 -4.165206537e+00 2.98 -2.959274235e+00 -3.805795206e+00 -4.100742814e+00 3.00 -2.893691860e+00 -3.735687846e+00 -4.035707671e+00 3.02 -2.829355207e+00 -3.665568069e+00 -3.970239869e+00 3.04 -2.766307063e+00 -3.595554851e+00 -3.904467683e+00 3.06 -2.704583285e+00 -3.525759006e+00 -3.838509574e+00 3.08 -2.644213199e+00 -3.456283812e+00 -3.772474824e+00 3.10 -2.585220000e+00 -3.387225606e+00 -3.706464115e+00 3.12 -2.527621141e+00 -3.318674337e+00 -3.640570081e+00 3.14 -2.471428733e+00 -3.250714078e+00 -3.574877824e+00 3.16 -2.416649928e+00 -3.183423483e+00 -3.509465390e+00 3.18 -2.363287293e+00 -3.116876166e+00 -3.444404225e+00 3.20 -2.311339148e+00 -3.051140997e+00 -3.379759596e+00 3.22 -2.260799864e+00 -2.986282289e+00 -3.315590993e+00 3.24 -2.211660081e+00 -2.922359861e+00 -3.251952502e+00 3.26 -2.163906834e+00 -2.859428974e+00 -3.188893162e+00 3.28 -2.117523542e+00 -2.797540129e+00 -3.126457302e+00 3.30 -2.072489862e+00 -2.736738756e+00 -3.064684860e+00 3.32 -2.028781374e+00 -2.677064810e+00 -3.003611688e+00 3.34 -1.986369130e+00 -2.618552332e+00 -2.943269846e+00 3.36 -1.945219082e+00 -2.561229036e+00 -2.883687881e+00 3.38 -1.905291476e+00 -2.505115981e+00 -2.824891102e+00 3.40 -1.866540296e+00 -2.450227404e+00 -2.766901841e+00 3.42 -1.828912890e+00 -2.396570759e+00 -2.709739722e+00 3.44 -1.792349913e+00 -2.344146985e+00 -2.653421909e+00 3.46 -1.756785711e+00 -2.292951015e+00 -2.597963368e+00 3.48 -1.722149231e+00 -2.242972475e+00 -2.543367733e+00 3.50 -1.688365497e+00 -2.194196533e+00 -2.489408537e+00 3.52 -1.655357593e+00 -2.146604806e+00 -2.435495827e+00 3.54 -1.623049037e+00 -2.100176259e+00 -2.382663375e+00 3.56 -1.591366334e+00 -2.054888003e+00 -2.331639268e+00 3.58 -1.560241478e+00 -2.010715949e+00 -2.281531733e+00 3.60 -1.529614155e+00 -1.967635262e+00 -2.232347541e+00 3.62 -1.499433427e+00 -1.925620613e+00 -2.184093270e+00 3.64 -1.469658751e+00 -1.884646230e+00 -2.136775492e+00 3.66 -1.440260276e+00 -1.844685786e+00 -2.090400918e+00 3.68 -1.411218425e+00 -1.805712171e+00 -2.044976489e+00 3.70 -1.382522887e+00 -1.767697213e+00 -2.000509397e+00 3.72 -1.354171150e+00 -1.730611407e+00 -1.957007021e+00 3.74 -1.326166781e+00 -1.694423714e+00 -1.914476768e+00 3.76 -1.298517627e+00 -1.659101490e+00 -1.872925822e+00 3.78 -1.271234105e+00 -1.624610561e+00 -1.832360776e+00 3.80 -1.244327711e+00 -1.590915486e+00 -1.792787184e+00 3.82 -1.217809824e+00 -1.557979988e+00 -1.754209039e+00 3.84 -1.191690847e+00 -1.525767532e+00 -1.716628203e+00 3.86 -1.165979668e+00 -1.494242006e+00 -1.680043841e+00 3.88 -1.140683398e+00 -1.463368455e+00 -1.644451894e+00 3.90 -1.115807343e+00 -1.433113789e+00 -1.609844652e+00 3.92 -1.091355110e+00 -1.403447411e+00 -1.576210458e+00 3.94 -1.067328809e+00 -1.374341711e+00 -1.543533591e+00 3.96 -1.043729284e+00 -1.345772376e+00 -1.511794336e+00 3.98 -1.020556336e+00 -1.317718520e+00 -1.480969260e+00 4.00 -9.978089225e-01 -1.290162624e+00 -1.451031661e+00 4.02 -9.750594258e-01 -1.263090319e+00 -1.421952162e+00 4.04 -9.464502171e-01 -1.236490041e+00 -1.393699417e+00 4.06 -8.992497881e-01 -1.210352623e+00 -1.366240845e+00 4.08 -8.425863362e-01 -1.184670835e+00 -1.339543369e+00 4.10 -8.225656437e-01 -1.159438951e+00 -1.313574085e+00 4.12 -8.039292676e-01 -1.134652336e+00 -1.288300833e+00 4.14 -7.856853094e-01 -1.110307094e+00 -1.263692640e+00 4.16 -7.678275215e-01 -1.086399775e+00 -1.239720010e+00 4.18 -7.503496257e-01 -1.062927155e+00 -1.216355090e+00 4.20 -7.332453239e-01 -1.039886055e+00 -1.193571692e+00 4.22 -7.165083076e-01 -1.017273230e+00 -1.171345220e+00 4.24 -7.001322672e-01 -9.950852819e-01 -1.149652525e+00 4.26 -6.841109004e-01 -9.732091796e-01 -1.128471711e+00 4.28 -6.684379200e-01 -9.493955032e-01 -1.107781936e+00 4.30 -6.531070607e-01 -9.160324650e-01 -1.087563214e+00 4.32 -6.381120864e-01 -8.624670384e-01 -1.067796257e+00 4.34 -6.234467953e-01 -8.308071599e-01 -1.048462343e+00 4.36 -6.091050265e-01 -8.129267078e-01 -1.029543234e+00 4.38 -5.950806640e-01 -7.953973802e-01 -1.011021126e+00 4.40 -5.807423206e-01 -7.782143368e-01 -9.928786324e-01 4.42 -5.545405647e-01 -7.613727026e-01 -9.750987955e-01 4.44 -4.779202717e-01 -7.448675661e-01 -9.576651112e-01 4.46 -2.838933201e-01 -7.286939825e-01 -9.405615680e-01 4.48 -1.017446292e-01 -7.128469782e-01 -9.237726913e-01 4.50 -9.874059958e-02 -6.973215577e-01 -9.072835909e-01 4.52 -9.582341603e-02 -6.821127095e-01 -8.910800086e-01 4.54 -9.299057805e-02 -6.672154132e-01 -8.751483644e-01 4.56 -9.023966001e-02 -6.526246450e-01 -8.594757991e-01 4.58 -8.756830861e-02 -6.383353841e-01 -8.440502145e-01 4.60 -8.497424049e-02 -6.243426178e-01 -8.288603070e-01 4.62 -8.245523997e-02 -6.106413467e-01 -8.138955975e-01 4.64 -8.000915676e-02 -5.972265891e-01 -7.991464534e-01 4.66 -7.763390387e-02 -5.840933858e-01 -7.846041049e-01 4.68 -7.532745556e-02 -5.712368038e-01 -7.702606535e-01 4.70 -7.308784534e-02 -5.586519400e-01 -7.561090725e-01 4.72 -7.091316410e-02 -5.463339250e-01 -7.421432001e-01 4.74 -6.880155823e-02 -5.342779258e-01 -7.283577239e-01 4.76 -6.675122794e-02 -5.224791490e-01 -7.147481574e-01 4.78 -6.476042548e-02 -5.109328435e-01 -7.013108093e-01 4.80 -6.282745357e-02 -4.996343028e-01 -6.880427441e-01 4.82 -6.095066381e-02 -4.885788671e-01 -6.749417376e-01 4.84 -5.912845514e-02 -4.777619256e-01 -6.620062243e-01 4.86 -5.735927242e-02 -4.671789183e-01 -6.492352413e-01 4.88 -5.564160499e-02 -4.568253374e-01 -6.366283666e-01 4.90 -5.397398533e-02 -4.466967289e-01 -6.241856546e-01 4.92 -5.221329792e-02 -4.360196612e-01 -6.109245731e-01 4.94 -4.859943802e-02 -4.149481563e-01 -5.841453213e-01 4.96 -3.889689693e-02 -3.556873562e-01 -5.065155197e-01 4.98 -1.931815683e-02 -2.092743333e-01 -3.051094013e-01 5.00 -1.538773585e-23 -1.668404453e-22 -1.811032462e-22 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 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