# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Ko-W-S-Hur-J-Hwang-J-Y-Chun-Y-B--Cu-Ni-Ti # implementation = 2024--Ko-W-S--Cu-Ni-Ti--LAMMPS--ipr1 # composition = Cu3Ti # 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 2026-08-31 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 4.099789445e+02 nan nan 0.92 3.813275568e+02 nan nan 0.94 3.545410521e+02 nan nan 0.96 3.295042423e+02 nan nan 0.98 3.061087386e+02 3.968497554e+02 nan 1.00 2.842525643e+02 3.712716680e+02 nan 1.02 2.638397900e+02 3.472292334e+02 3.988238966e+02 1.04 2.447801885e+02 3.246346935e+02 3.737827786e+02 1.06 2.269889090e+02 3.034051110e+02 3.502036635e+02 1.08 2.103861698e+02 2.834621128e+02 3.280054366e+02 1.10 1.948969675e+02 2.647316464e+02 3.071112997e+02 1.12 1.804508032e+02 2.471437483e+02 2.874485483e+02 1.14 1.669814231e+02 2.306323261e+02 2.689483618e+02 1.16 1.544265747e+02 2.151349506e+02 2.515456028e+02 1.18 1.427277752e+02 2.005926597e+02 2.351786262e+02 1.20 1.318300939e+02 1.869497719e+02 2.197890998e+02 1.22 1.216819464e+02 1.741537103e+02 2.053218315e+02 1.24 1.122349001e+02 1.621548354e+02 1.917246070e+02 1.26 1.034434908e+02 1.509062870e+02 1.789480351e+02 1.28 9.526504980e+01 1.403638341e+02 1.669454003e+02 1.30 8.765953969e+01 1.304857329e+02 1.556725240e+02 1.32 8.058940070e+01 1.212325921e+02 1.450876316e+02 1.34 7.401940457e+01 1.125672459e+02 1.351512272e+02 1.36 6.791651729e+01 1.044546328e+02 1.258259738e+02 1.38 6.224976918e+01 9.686168128e+01 1.170765804e+02 1.40 5.699013253e+01 8.975720174e+01 1.088696944e+02 1.42 5.211040603e+01 8.311178364e+01 1.011737994e+02 1.44 4.758510582e+01 7.689769831e+01 9.395911859e+01 1.46 4.339036262e+01 7.108880701e+01 8.719752275e+01 1.48 3.950382485e+01 6.566047370e+01 8.086244300e+01 1.50 3.590456715e+01 6.058948238e+01 7.492878798e+01 1.52 3.257300417e+01 5.585395905e+01 6.937286550e+01 1.54 2.949080934e+01 5.143329757e+01 6.417230787e+01 1.56 2.664083827e+01 4.730808955e+01 5.930600124e+01 1.58 2.400705656e+01 4.346005804e+01 5.475401864e+01 1.60 2.157447179e+01 3.987199462e+01 5.049755626e+01 1.62 1.932906949e+01 3.652769990e+01 4.651887312e+01 1.64 1.725775280e+01 3.341192729e+01 4.280123398e+01 1.66 1.534828563e+01 3.051032959e+01 3.932885488e+01 1.68 1.358923920e+01 2.780940861e+01 3.608685183e+01 1.70 1.196994171e+01 2.529646744e+01 3.306119196e+01 1.72 1.048043095e+01 2.295956519e+01 3.023864724e+01 1.74 9.111409704e+00 2.078747437e+01 2.760675068e+01 1.76 7.854203894e+00 1.876964036e+01 2.515375473e+01 1.78 6.700723083e+00 1.689614322e+01 2.286859186e+01 1.80 5.643423450e+00 1.515766151e+01 2.074083728e+01 1.82 4.675272919e+00 1.354543804e+01 1.876067350e+01 1.84 3.789718426e+00 1.205124757e+01 1.691885683e+01 1.86 2.980655149e+00 1.066736626e+01 1.520668566e+01 1.88 2.242397600e+00 9.386542643e+00 1.361597029e+01 1.90 1.569652493e+00 8.201970431e+00 1.213900452e+01 1.92 9.574932550e-01 7.107262630e+00 1.076853863e+01 1.94 4.013361064e-01 6.096427133e+00 9.497753807e+00 1.96 -1.030823837e-01 5.163843710e+00 8.320238004e+00 1.98 -5.597263553e-01 4.304242208e+00 7.229963011e+00 2.00 -9.722804175e-01 3.512681978e+00 6.221262762e+00 2.02 -1.344168162e+00 2.784532490e+00 5.288812872e+00 2.04 -1.678569535e+00 2.115454964e+00 4.427611179e+00 2.06 -1.978437112e+00 1.501385081e+00 3.632959394e+00 2.08 -2.246511341e+00 9.385166515e-01 2.900445750e+00 2.10 -2.485334840e+00 4.232861824e-01 2.225928535e+00 2.12 -2.697265764e+00 -4.764165108e-02 1.605520579e+00 2.14 -2.884490339e+00 -4.773877259e-01 1.035574563e+00 2.16 -3.049034583e+00 -8.688714252e-01 5.126691017e-01 2.18 -3.192775279e+00 -1.224822821e+00 3.359565173e-02 2.20 -3.317450240e+00 -1.547794190e+00 -4.046539193e-01 2.22 -3.424667909e+00 -1.840170863e+00 -8.048990598e-01 2.24 -3.515916331e+00 -2.104181427e+00 -1.169781588e+00 2.26 -3.592571549e+00 -2.341907370e+00 -1.501776179e+00 2.28 -3.655905442e+00 -2.555292151e+00 -1.803200237e+00 2.30 -3.707093046e+00 -2.746149736e+00 -2.076223215e+00 2.32 -3.747219402e+00 -2.916172657e+00 -2.322875444e+00 2.34 -3.777285939e+00 -3.066939579e+00 -2.545056433e+00 2.36 -3.798216435e+00 -3.199922432e+00 -2.744542716e+00 2.38 -3.810862584e+00 -3.316493126e+00 -2.922995269e+00 2.40 -3.816009183e+00 -3.417929862e+00 -3.081966478e+00 2.42 -3.814378971e+00 -3.505423070e+00 -3.222906738e+00 2.44 -3.806637143e+00 -3.580081005e+00 -3.347170667e+00 2.46 -3.793395445e+00 -3.642934984e+00 -3.456022950e+00 2.48 -3.775209018e+00 -3.694944338e+00 -3.550643878e+00 2.50 -3.752588575e+00 -3.737001046e+00 -3.632134541e+00 2.52 -3.726045428e+00 -3.769934094e+00 -3.701521731e+00 2.54 -3.695990824e+00 -3.794513575e+00 -3.759762567e+00 2.56 -3.662823575e+00 -3.811454537e+00 -3.807748839e+00 2.58 -3.626908958e+00 -3.821420587e+00 -3.846311107e+00 2.60 -3.588581265e+00 -3.825027293e+00 -3.876222561e+00 2.62 -3.548146164e+00 -3.822845357e+00 -3.898202644e+00 2.64 -3.505882901e+00 -3.815403606e+00 -3.912920469e+00 2.66 -3.462046339e+00 -3.803191788e+00 -3.920998040e+00 2.68 -3.416868853e+00 -3.786663202e+00 -3.923013263e+00 2.70 -3.370562094e+00 -3.766237157e+00 -3.919502795e+00 2.72 -3.323318616e+00 -3.742301282e+00 -3.910964715e+00 2.74 -3.275316305e+00 -3.715213685e+00 -3.897861032e+00 2.76 -3.226785265e+00 -3.685304978e+00 -3.880620048e+00 2.78 -3.177865857e+00 -3.652880178e+00 -3.859638571e+00 2.80 -3.128548684e+00 -3.618220476e+00 -3.835284000e+00 2.82 -3.079016144e+00 -3.581584903e+00 -3.807896276e+00 2.84 -3.029365997e+00 -3.543211882e+00 -3.777789720e+00 2.86 -2.979231900e+00 -3.503320683e+00 -3.745254748e+00 2.88 -2.927699759e+00 -3.462112782e+00 -3.710559495e+00 2.90 -2.878011317e+00 -3.419773133e+00 -3.673951321e+00 2.92 -2.828977807e+00 -3.376471351e+00 -3.635658233e+00 2.94 -2.780216738e+00 -3.332362829e+00 -3.595890220e+00 2.96 -2.731783218e+00 -3.287589764e+00 -3.554840494e+00 2.98 -2.683726160e+00 -3.242282131e+00 -3.512686661e+00 3.00 -2.636088824e+00 -3.196558583e+00 -3.469591815e+00 3.02 -2.588909319e+00 -3.150490799e+00 -3.425705559e+00 3.04 -2.542221066e+00 -3.103750023e+00 -3.381164966e+00 3.06 -2.496053226e+00 -3.056338383e+00 -3.336095475e+00 3.08 -2.450431086e+00 -3.010023021e+00 -3.290611725e+00 3.10 -2.405376424e+00 -2.963759964e+00 -3.244818342e+00 3.12 -2.360907836e+00 -2.917594075e+00 -3.198810673e+00 3.14 -2.317041042e+00 -2.871585501e+00 -3.152675463e+00 3.16 -2.273789159e+00 -2.825788391e+00 -3.106491499e+00 3.18 -2.231162960e+00 -2.780251370e+00 -3.060330204e+00 3.20 -2.189171107e+00 -2.735017979e+00 -3.014256193e+00 3.22 -2.147820362e+00 -2.690127087e+00 -2.968327791e+00 3.24 -2.107115781e+00 -2.645613269e+00 -2.922597518e+00 3.26 -2.067060898e+00 -2.601507165e+00 -2.877112537e+00 3.28 -2.027657881e+00 -2.557835800e+00 -2.831915075e+00 3.30 -1.988907681e+00 -2.514622894e+00 -2.787042811e+00 3.32 -1.950810170e+00 -2.471889142e+00 -2.742529243e+00 3.34 -1.913364262e+00 -2.429652471e+00 -2.698404023e+00 3.36 -1.876568023e+00 -2.387928286e+00 -2.654693273e+00 3.38 -1.840418770e+00 -2.346729691e+00 -2.611419874e+00 3.40 -1.804913169e+00 -2.306067692e+00 -2.568603739e+00 3.42 -1.770047310e+00 -2.265951395e+00 -2.526262065e+00 3.44 -1.735816786e+00 -2.226388173e+00 -2.484409562e+00 3.46 -1.702216761e+00 -2.187383833e+00 -2.443058675e+00 3.48 -1.669242025e+00 -2.148942764e+00 -2.402176368e+00 3.50 -1.636887053e+00 -2.111068076e+00 -2.360729614e+00 3.52 -1.605146052e+00 -2.073761723e+00 -2.316123042e+00 3.54 -1.574013004e+00 -2.037024621e+00 -2.273083705e+00 3.56 -1.543481705e+00 -2.000856758e+00 -2.234891625e+00 3.58 -1.513545795e+00 -1.965257286e+00 -2.197217063e+00 3.60 -1.484198796e+00 -1.930224615e+00 -2.160061814e+00 3.62 -1.455434130e+00 -1.895756493e+00 -2.123426645e+00 3.64 -1.427245148e+00 -1.861850082e+00 -2.087311401e+00 3.66 -1.399625144e+00 -1.828502026e+00 -2.051715099e+00 3.68 -1.372567378e+00 -1.795708516e+00 -2.016636020e+00 3.70 -1.346065087e+00 -1.763465344e+00 -1.982071787e+00 3.72 -1.320111495e+00 -1.731767953e+00 -1.948019444e+00 3.74 -1.294699828e+00 -1.700611491e+00 -1.914475522e+00 3.76 -1.269823316e+00 -1.669990846e+00 -1.881436100e+00 3.78 -1.245475205e+00 -1.639900689e+00 -1.848896867e+00 3.80 -1.221648754e+00 -1.610335507e+00 -1.816853170e+00 3.82 -1.198337243e+00 -1.581289634e+00 -1.785300061e+00 3.84 -1.175533971e+00 -1.552757280e+00 -1.754232344e+00 3.86 -1.153232259e+00 -1.524732555e+00 -1.723644612e+00 3.88 -1.131425442e+00 -1.497209492e+00 -1.693531281e+00 3.90 -1.110106875e+00 -1.470182066e+00 -1.663886623e+00 3.92 -1.089269919e+00 -1.443644211e+00 -1.634704797e+00 3.94 -1.068907944e+00 -1.417589837e+00 -1.605979872e+00 3.96 -1.049014318e+00 -1.392012840e+00 -1.577705852e+00 3.98 -1.029582403e+00 -1.366907118e+00 -1.549876697e+00 4.00 -1.010605545e+00 -1.342266577e+00 -1.522486340e+00 4.02 -9.911304388e-01 -1.318085139e+00 -1.495528707e+00 4.04 -9.577125207e-01 -1.294356751e+00 -1.468997727e+00 4.06 -8.822382828e-01 -1.271075391e+00 -1.442887349e+00 4.08 -8.215368304e-01 -1.248235067e+00 -1.417191552e+00 4.10 -8.057375275e-01 -1.225829826e+00 -1.391904353e+00 4.12 -7.902914209e-01 -1.203853754e+00 -1.367019821e+00 4.14 -7.751409450e-01 -1.182300975e+00 -1.342532077e+00 4.16 -7.602806484e-01 -1.161165653e+00 -1.318435306e+00 4.18 -7.457051878e-01 -1.140441992e+00 -1.294723763e+00 4.20 -7.314093262e-01 -1.120124232e+00 -1.271391771e+00 4.22 -7.173879314e-01 -1.100206650e+00 -1.248433732e+00 4.24 -7.036359733e-01 -1.080683554e+00 -1.225844125e+00 4.26 -6.901485222e-01 -1.061300227e+00 -1.203617511e+00 4.28 -6.769207467e-01 -1.037048930e+00 -1.181748534e+00 4.30 -6.639479108e-01 -9.936855837e-01 -1.160231922e+00 4.32 -6.512253726e-01 -9.232004385e-01 -1.139062488e+00 4.34 -6.387485814e-01 -8.909942772e-01 -1.118235128e+00 4.36 -6.265130756e-01 -8.768555546e-01 -1.097744827e+00 4.38 -6.145144804e-01 -8.630007214e-01 -1.077586651e+00 4.40 -6.021178081e-01 -8.494247509e-01 -1.057755752e+00 4.42 -5.781584517e-01 -8.361225622e-01 -1.038247365e+00 4.44 -5.137123206e-01 -8.230890142e-01 -1.019056808e+00 4.46 -3.834345606e-01 -8.103188996e-01 -1.000179478e+00 4.48 -2.827334871e-01 -7.978069388e-01 -9.816108529e-01 4.50 -2.782168044e-01 -7.855477749e-01 -9.633464881e-01 4.52 -2.737587738e-01 -7.735359686e-01 -9.453820154e-01 4.54 -2.693590409e-01 -7.617659931e-01 -9.277131412e-01 4.56 -2.650172420e-01 -7.502322313e-01 -9.103356448e-01 4.58 -2.607330040e-01 -7.389289717e-01 -8.932453764e-01 4.60 -2.565059440e-01 -7.278504072e-01 -8.764382555e-01 4.62 -2.523356699e-01 -7.169906342e-01 -8.599102688e-01 4.64 -2.482217805e-01 -7.063436522e-01 -8.436574684e-01 4.66 -2.441638656e-01 -6.959033665e-01 -8.276759699e-01 4.68 -2.401615061e-01 -6.856635911e-01 -8.119619507e-01 4.70 -2.362142748e-01 -6.756180540e-01 -7.965116479e-01 4.72 -2.323217363e-01 -6.657604044e-01 -7.813213566e-01 4.74 -2.284834477e-01 -6.560842214e-01 -7.663874282e-01 4.76 -2.246989586e-01 -6.465830254e-01 -7.517062685e-01 4.78 -2.209678119e-01 -6.372502914e-01 -7.372743363e-01 4.80 -2.172895441e-01 -6.280794649e-01 -7.230881412e-01 4.82 -2.136636855e-01 -6.190639794e-01 -7.091442427e-01 4.84 -2.100897609e-01 -6.101972772e-01 -6.954392481e-01 4.86 -2.065672902e-01 -6.014728314e-01 -6.819698113e-01 4.88 -2.030957884e-01 -5.928841707e-01 -6.687326311e-01 4.90 -1.996747663e-01 -5.844249059e-01 -6.557244503e-01 4.92 -1.958443259e-01 -5.750138137e-01 -6.416930341e-01 4.94 -1.857725880e-01 -5.508811928e-01 -6.107538650e-01 4.96 -1.543768709e-01 -4.735932161e-01 -5.195893293e-01 4.98 -8.324676697e-02 -2.779327763e-01 -2.994062240e-01 5.00 -5.075298052e-23 -2.217846077e-22 -1.994768644e-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 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