# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co # implementation = 2025--Sharifi-H--Cr-Ni-Co--LAMMPS--ipr1 # composition = CoCr3 # 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 2.133791086e+02 nan nan 0.92 1.956264025e+02 nan nan 0.94 1.790600795e+02 nan nan 0.96 1.636371274e+02 nan nan 0.98 1.493180579e+02 1.894064801e+02 nan 1.00 1.360620602e+02 1.753354270e+02 nan 1.02 1.238248040e+02 1.620283386e+02 2.289318442e+02 1.04 1.125578889e+02 1.494926043e+02 2.116259242e+02 1.06 1.022110436e+02 1.377327010e+02 1.953661020e+02 1.08 9.280092595e+01 1.269308967e+02 1.804093385e+02 1.10 8.427432751e+01 1.170799527e+02 1.667508858e+02 1.12 7.653522034e+01 1.080531567e+02 1.542207400e+02 1.14 6.950002250e+01 9.975008798e+01 1.426837884e+02 1.16 6.309543777e+01 9.208973340e+01 1.320306545e+02 1.18 5.725692513e+01 8.500574917e+01 1.221714229e+02 1.20 5.192750514e+01 7.844293573e+01 1.130309778e+02 1.22 4.705679189e+01 7.235462146e+01 1.045455486e+02 1.24 4.260018122e+01 6.670072958e+01 9.666016408e+01 1.26 3.851816107e+01 6.144634930e+01 8.932677362e+01 1.28 3.477571219e+01 5.656067387e+01 8.250284769e+01 1.30 3.134178504e+01 5.201621447e+01 7.615034463e+01 1.32 2.818883793e+01 4.778821449e+01 7.023494115e+01 1.34 2.529243058e+01 4.385421079e+01 6.472545483e+01 1.36 2.263087401e+01 4.019370111e+01 5.959340502e+01 1.38 2.018488875e+01 3.678788817e+01 5.481267342e+01 1.40 1.793730843e+01 3.361947876e+01 5.035923661e+01 1.42 1.587282434e+01 3.067250962e+01 4.621094735e+01 1.44 1.397775405e+01 2.793219308e+01 4.234734160e+01 1.46 1.223974382e+01 2.538481878e+01 3.874950104e+01 1.48 1.064735171e+01 2.301767076e+01 3.539993047e+01 1.50 9.189895760e+00 2.081895079e+01 3.228244209e+01 1.52 7.857403343e+00 1.877770978e+01 2.938205170e+01 1.54 6.640566449e+00 1.688378541e+01 2.668488433e+01 1.56 5.530689117e+00 1.512774504e+01 2.417808789e+01 1.58 4.519660772e+00 1.350083279e+01 2.184975378e+01 1.60 3.599935566e+00 1.199492050e+01 1.968884323e+01 1.62 2.764500153e+00 1.060244815e+01 1.768509981e+01 1.64 2.006844415e+00 9.316280924e+00 1.582884379e+01 1.66 1.320936047e+00 8.129621384e+00 1.411084721e+01 1.68 7.011806954e-01 7.035991610e+00 1.252230487e+01 1.70 1.423810464e-01 6.029228789e+00 1.105482711e+01 1.72 -3.602914670e-01 5.103483413e+00 9.700437871e+00 1.74 -8.113207823e-01 4.253215582e+00 8.451570760e+00 1.76 -1.214868615e+00 3.473172348e+00 7.301063394e+00 1.78 -1.574793244e+00 2.758379579e+00 6.242149876e+00 1.80 -1.894672919e+00 2.104161073e+00 5.268451617e+00 1.82 -2.178130897e+00 1.506130070e+00 4.373966962e+00 1.84 -2.428740633e+00 9.601783222e-01 3.553059588e+00 1.86 -2.649719224e+00 4.624647793e-01 2.800445860e+00 1.88 -2.843953162e+00 9.403714393e-03 2.111180955e+00 1.90 -3.014036255e+00 -4.023546811e-01 1.480632212e+00 1.92 -3.162299888e+00 -7.759348872e-01 9.044668154e-01 1.94 -3.290835937e+00 -1.114237544e+00 3.786542584e-01 1.96 -3.401521472e+00 -1.419951126e+00 -1.005483179e-01 1.98 -3.496041099e+00 -1.695563969e+00 -5.366116160e-01 2.00 -3.575906964e+00 -1.943375875e+00 -9.327492529e-01 2.02 -3.642476638e+00 -2.165560087e+00 -1.292005092e+00 2.04 -3.696969594e+00 -2.364323581e+00 -1.617481432e+00 2.06 -3.740490012e+00 -2.541723117e+00 -1.912074009e+00 2.08 -3.774048573e+00 -2.699620887e+00 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-3.557076872e+00 -4.048836304e+00 2.46 -3.352481747e+00 -3.541634207e+00 -4.057237696e+00 2.48 -3.301742218e+00 -3.522669465e+00 -4.060017944e+00 2.50 -3.249849884e+00 -3.500475326e+00 -4.057592331e+00 2.52 -3.196959360e+00 -3.475329081e+00 -4.050353311e+00 2.54 -3.143218083e+00 -3.447498129e+00 -4.038678031e+00 2.56 -3.088762847e+00 -3.417230366e+00 -4.022915157e+00 2.58 -3.033720104e+00 -3.384754640e+00 -4.003385482e+00 2.60 -2.978206701e+00 -3.350282419e+00 -3.980384183e+00 2.62 -2.922330543e+00 -3.314009297e+00 -3.954182851e+00 2.64 -2.866191195e+00 -3.276116349e+00 -3.925031293e+00 2.66 -2.809880426e+00 -3.236771360e+00 -3.893159149e+00 2.68 -2.753482706e+00 -3.196129926e+00 -3.858777321e+00 2.70 -2.697075652e+00 -3.154336459e+00 -3.822079250e+00 2.72 -2.640730442e+00 -3.111525086e+00 -3.783242025e+00 2.74 -2.584512195e+00 -3.067820471e+00 -3.742427375e+00 2.76 -2.528480311e+00 -3.023338553e+00 -3.699782510e+00 2.78 -2.472688798e+00 -2.978187216e+00 -3.655440868e+00 2.80 -2.417186566e+00 -2.932466901e+00 -3.609522742e+00 2.82 -2.362017706e+00 -2.886271152e+00 -3.562135819e+00 2.84 -2.307221748e+00 -2.839687123e+00 -3.513375645e+00 2.86 -2.252833913e+00 -2.792796031e+00 -3.463326024e+00 2.88 -2.198885343e+00 -2.745673573e+00 -3.412059378e+00 2.90 -2.145403337e+00 -2.698390305e+00 -3.359637113e+00 2.92 -2.092411569e+00 -2.651011989e+00 -3.306109995e+00 2.94 -2.039930322e+00 -2.603599906e+00 -3.251518634e+00 2.96 -1.987976707e+00 -2.556211152e+00 -3.195894107e+00 2.98 -1.936564911e+00 -2.508898896e+00 -3.139258835e+00 3.00 -1.885706451e+00 -2.461712634e+00 -3.081627800e+00 3.02 -1.835410444e+00 -2.414698407e+00 -3.023010270e+00 3.04 -1.785683926e+00 -2.367899012e+00 -2.963412144e+00 3.06 -1.736532190e+00 -2.321354192e+00 -2.902839121e+00 3.08 -1.687959188e+00 -2.275100817e+00 -2.841300825e+00 3.10 -1.639967985e+00 -2.229173046e+00 -2.778816004e+00 3.12 -1.592561288e+00 -2.183602482e+00 -2.715418852e+00 3.14 -1.545742058e+00 -2.138418314e+00 -2.651166298e+00 3.16 -1.499514206e+00 -2.093647451e+00 -2.586145932e+00 3.18 -1.453883390e+00 -2.049314646e+00 -2.520483908e+00 3.20 -1.408857896e+00 -2.005442614e+00 -2.454351822e+00 3.22 -1.364449602e+00 -1.962052141e+00 -2.387971259e+00 3.24 -1.320674993e+00 -1.919162188e+00 -2.321614505e+00 3.26 -1.277556165e+00 -1.876789985e+00 -2.255600019e+00 3.28 -1.235121773e+00 -1.834951127e+00 -2.190281672e+00 3.30 -1.193407802e+00 -1.793659658e+00 -2.126031683e+00 3.32 -1.152458040e+00 -1.752928156e+00 -2.063218334e+00 3.34 -1.112324123e+00 -1.712767805e+00 -2.002180820e+00 3.36 -1.073064984e+00 -1.673188476e+00 -1.943204578e+00 3.38 -1.034745579e+00 -1.634198792e+00 -1.886500782e+00 3.40 -9.974348075e-01 -1.595806196e+00 -1.832193181e+00 3.42 -9.612026068e-01 -1.558017016e+00 -1.780314265e+00 3.44 -9.261163312e-01 -1.520836525e+00 -1.730811007e+00 3.46 -8.922366426e-01 -1.484268997e+00 -1.683558779e+00 3.48 -8.596132733e-01 -1.448317766e+00 -1.638378876e+00 3.50 -8.282811073e-01 -1.412985274e+00 -1.595019787e+00 3.52 -7.982570629e-01 -1.378273125e+00 -1.553170570e+00 3.54 -7.695382035e-01 -1.344182133e+00 -1.512817961e+00 3.56 -7.421013728e-01 -1.310712367e+00 -1.473872421e+00 3.58 -7.159044499e-01 -1.277863194e+00 -1.436018957e+00 3.60 -6.908890995e-01 -1.245633324e+00 -1.399130159e+00 3.62 -6.669846828e-01 -1.214020850e+00 -1.363108785e+00 3.64 -6.441128547e-01 -1.183023283e+00 -1.327884037e+00 3.66 -6.221923037e-01 -1.152637596e+00 -1.293406516e+00 3.68 -6.011431255e-01 -1.122860251e+00 -1.259642899e+00 3.70 -5.808904197e-01 -1.093687242e+00 -1.226571109e+00 3.72 -5.613668527e-01 -1.065114119e+00 -1.194176371e+00 3.74 -5.425141006e-01 -1.037136026e+00 -1.162448284e+00 3.76 -5.242832413e-01 -1.009747726e+00 -1.131378824e+00 3.78 -5.066342861e-01 -9.829436319e-01 -1.100961092e+00 3.80 -4.895351096e-01 -9.567178334e-01 -1.071188589e+00 3.82 -4.729600565e-01 -9.310641223e-01 -1.042054844e+00 3.84 -4.568884699e-01 -9.059760175e-01 -1.013553228e+00 3.86 -4.413033305e-01 -8.814467890e-01 -9.856768939e-01 3.88 -4.261901187e-01 -8.574694805e-01 -9.584187529e-01 3.90 -4.115359433e-01 -8.340369303e-01 -9.317714819e-01 3.92 -3.973289282e-01 -8.111417925e-01 -9.057275383e-01 3.94 -3.835578134e-01 -7.887765565e-01 -8.802791769e-01 3.96 -3.702117164e-01 -7.669335649e-01 -8.554184679e-01 3.98 -3.572800022e-01 -7.456050321e-01 -8.311373143e-01 4.00 -3.447522191e-01 -7.247830601e-01 -8.074274689e-01 4.02 -3.322629700e-01 -7.044596555e-01 -7.842805510e-01 4.04 -3.150394468e-01 -6.846267436e-01 -7.616880618e-01 4.06 -2.835470670e-01 -6.652761834e-01 -7.396413998e-01 4.08 -2.465226271e-01 -6.463997807e-01 -7.181318752e-01 4.10 -2.369917487e-01 -6.279893012e-01 -6.971507238e-01 4.12 -2.284566961e-01 -6.100364827e-01 -6.766891205e-01 4.14 -2.201986998e-01 -5.925330458e-01 -6.567381920e-01 4.16 -2.122102265e-01 -5.754707056e-01 -6.372890287e-01 4.18 -2.044838701e-01 -5.588411811e-01 -6.183326965e-01 4.20 -1.970123540e-01 -5.426362051e-01 -5.998602477e-01 4.22 -1.897885334e-01 -5.268475328e-01 -5.818627316e-01 4.24 -1.828053974e-01 -5.114669506e-01 -5.643312042e-01 4.26 -1.760560700e-01 -4.964399893e-01 -5.472567378e-01 4.28 -1.695338112e-01 -4.808400593e-01 -5.306304298e-01 4.30 -1.632320186e-01 -4.622670688e-01 -5.144434109e-01 4.32 -1.571442269e-01 -4.403604911e-01 -4.986868534e-01 4.34 -1.512641091e-01 -4.249970417e-01 -4.833519783e-01 4.36 -1.455854761e-01 -4.124383560e-01 -4.684300622e-01 4.38 -1.401022766e-01 -4.002137908e-01 -4.539124443e-01 4.40 -1.346182467e-01 -3.883161438e-01 -4.397905318e-01 4.42 -1.258397539e-01 -3.767382855e-01 -4.260558063e-01 4.44 -1.056759118e-01 -3.654731634e-01 -4.126998284e-01 4.46 -7.204184325e-02 -3.545138051e-01 -3.997142433e-01 4.48 -5.807751751e-02 -3.438533220e-01 -3.870907846e-01 4.50 -5.651729088e-02 -3.334849119e-01 -3.748212790e-01 4.52 -5.499477957e-02 -3.234018617e-01 -3.628976498e-01 4.54 -5.350922870e-02 -3.135975499e-01 -3.513119207e-01 4.56 -5.205989258e-02 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-3.127166603e-02 -1.716710890e-01 -1.850011750e-01 4.94 -2.894120051e-02 -1.587882503e-01 -1.703000665e-01 4.96 -2.243633496e-02 -1.243288075e-01 -1.315753927e-01 4.98 -1.002885296e-02 -5.791849120e-02 -5.896740660e-02 5.00 -5.531487380e-25 -1.776629450e-24 -1.745329122e-24 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 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