# 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 = MgTi3 # 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 3.773217861e+02 nan nan 1.16 3.472445896e+02 nan nan 1.18 3.196350222e+02 nan nan 1.20 2.942737913e+02 nan nan 1.22 2.709636776e+02 nan nan 1.24 2.495272729e+02 nan nan 1.26 2.298040632e+02 nan nan 1.28 2.116478409e+02 3.269847089e+02 3.741909074e+02 1.30 1.949255381e+02 3.030138738e+02 3.473846496e+02 1.32 1.795165283e+02 2.808392827e+02 3.225538631e+02 1.34 1.653116249e+02 2.603145462e+02 2.995403219e+02 1.36 1.522121820e+02 2.413060543e+02 2.781993537e+02 1.38 1.401289342e+02 2.236930407e+02 2.583993418e+02 1.40 1.289803657e+02 2.073659567e+02 2.400208677e+02 1.42 1.186914920e+02 1.922245928e+02 2.229551583e+02 1.44 1.091934936e+02 1.781773509e+02 2.071027966e+02 1.46 1.004234213e+02 1.651411719e+02 1.923729064e+02 1.48 9.232352105e+01 1.530407898e+02 1.786821559e+02 1.50 8.484071930e+01 1.418072463e+02 1.659536097e+02 1.52 7.792658775e+01 1.313765478e+02 1.541160993e+02 1.54 7.153725111e+01 1.216890342e+02 1.431042272e+02 1.56 6.563273712e+01 1.126894181e+02 1.328582922e+02 1.58 6.017605680e+01 1.043269625e+02 1.233235370e+02 1.60 5.513263986e+01 9.655531142e+01 1.144490420e+02 1.62 5.047034832e+01 8.933200562e+01 1.061870280e+02 1.64 4.615974346e+01 8.261792651e+01 9.849291448e+01 1.66 4.217454419e+01 7.637671770e+01 9.132573473e+01 1.68 3.849072145e+01 7.057424747e+01 8.464821025e+01 1.70 3.508556944e+01 6.517836002e+01 7.842630677e+01 1.72 3.193802234e+01 6.015904670e+01 7.262865129e+01 1.74 2.902854302e+01 5.548880598e+01 6.722609250e+01 1.76 2.633913683e+01 5.114276577e+01 6.219144648e+01 1.78 2.385342690e+01 4.709841401e+01 5.749938394e+01 1.80 2.155657356e+01 4.333529408e+01 5.312638962e+01 1.82 1.943503586e+01 3.983484658e+01 4.905066937e+01 1.84 1.747628840e+01 3.657938389e+01 4.525199064e+01 1.86 1.566858070e+01 3.355226291e+01 4.171186440e+01 1.88 1.400079152e+01 3.073805446e+01 3.841308662e+01 1.90 1.246239430e+01 2.812225428e+01 3.533923703e+01 1.92 1.104352218e+01 2.569114877e+01 3.247502098e+01 1.94 9.735073377e+00 2.343176688e+01 2.980617949e+01 1.96 8.528769362e+00 2.133192559e+01 2.731936722e+01 1.98 7.417124657e+00 1.938032732e+01 2.500220182e+01 2.00 6.393341458e+00 1.756660792e+01 2.284330215e+01 2.02 5.451172133e+00 1.588127259e+01 2.083223909e+01 2.04 4.584793883e+00 1.431555731e+01 1.895941465e+01 2.06 3.788722022e+00 1.286130420e+01 1.721593018e+01 2.08 3.057764389e+00 1.151090768e+01 1.559348903e+01 2.10 2.387005803e+00 1.025732041e+01 1.408432597e+01 2.12 1.771805796e+00 9.094064504e+00 1.268114332e+01 2.14 1.207806102e+00 8.015204462e+00 1.137703457e+01 2.16 6.909527188e-01 7.015278794e+00 1.016540213e+01 2.18 2.175291649e-01 6.089208949e+00 9.039898981e+00 2.20 -2.158175116e-01 5.232209804e+00 7.994426692e+00 2.22 -6.120808380e-01 4.439713124e+00 7.023208862e+00 2.24 -9.739317945e-01 3.707318308e+00 6.120896392e+00 2.26 -1.303775452e+00 3.030778581e+00 5.282647932e+00 2.28 -1.603808320e+00 2.406022118e+00 4.504133111e+00 2.30 -1.876063161e+00 1.829199396e+00 3.781465402e+00 2.32 -2.122440735e+00 1.296730179e+00 3.111100252e+00 2.34 -2.344730231e+00 8.053418191e-01 2.489744244e+00 2.36 -2.544622798e+00 3.520801992e-01 1.914295709e+00 2.38 -2.723719517e+00 -6.570511028e-02 1.381818268e+00 2.40 -2.883537455e+00 -4.504003205e-01 8.895411208e-01 2.42 -3.025516365e+00 -8.041802195e-01 4.348683769e-01 2.44 -3.151025807e+00 -1.129058357e+00 1.538703852e-02 2.46 -3.261394471e+00 -1.426926806e+00 -3.711368468e-01 2.48 -3.358035272e+00 -1.699580390e+00 -7.267756553e-01 2.50 -3.441999280e+00 -1.948727532e+00 -1.053469033e+00 2.52 -3.514246144e+00 -2.175990816e+00 -1.353055053e+00 2.54 -3.575711884e+00 -2.382901068e+00 -1.627301812e+00 2.56 -3.627292062e+00 -2.570889406e+00 -1.877929759e+00 2.58 -3.669827419e+00 -2.741281795e+00 -2.106620393e+00 2.60 -3.704095409e+00 -2.895299254e+00 -2.315007392e+00 2.62 -3.730761535e+00 -3.034063990e+00 -2.504651519e+00 2.64 -3.750139906e+00 -3.158610812e+00 -2.677009227e+00 2.66 -3.762438799e+00 -3.269897689e+00 -2.833403984e+00 2.68 -3.767903815e+00 -3.368870989e+00 -2.975015947e+00 2.70 -3.766809748e+00 -3.456422714e+00 -3.102888616e+00 2.72 -3.759455021e+00 -3.533280353e+00 -3.217949238e+00 2.74 -3.746157495e+00 -3.600065166e+00 -3.321034359e+00 2.76 -3.727250417e+00 -3.657375025e+00 -3.412945439e+00 2.78 -3.703077928e+00 -3.705793527e+00 -3.494530525e+00 2.80 -3.673991088e+00 -3.745887568e+00 -3.566358394e+00 2.82 -3.640343483e+00 -3.778204683e+00 -3.628967356e+00 2.84 -3.602489186e+00 -3.803264731e+00 -3.682905488e+00 2.86 -3.560780995e+00 -3.821435620e+00 -3.728728139e+00 2.88 -3.515569238e+00 -3.832974773e+00 -3.766993551e+00 2.90 -3.467198504e+00 -3.838098822e+00 -3.798255976e+00 2.92 -3.416003052e+00 -3.837056715e+00 -3.823056153e+00 2.94 -3.362301833e+00 -3.830140466e+00 -3.841844536e+00 2.96 -3.306391364e+00 -3.817679136e+00 -3.854828373e+00 2.98 -3.248545081e+00 -3.800034951e+00 -3.862189536e+00 3.00 -3.189016220e+00 -3.777600292e+00 -3.864126837e+00 3.02 -3.128046267e+00 -3.750792872e+00 -3.860849693e+00 3.04 -3.065876591e+00 -3.720046042e+00 -3.852573351e+00 3.06 -3.002759737e+00 -3.685794657e+00 -3.839517182e+00 3.08 -2.938966376e+00 -3.648454960e+00 -3.821904026e+00 3.10 -2.874784771e+00 -3.608407992e+00 -3.799959627e+00 3.12 -2.810511697e+00 -3.565987011e+00 -3.773911742e+00 3.14 -2.746436665e+00 -3.521474666e+00 -3.743988949e+00 3.16 -2.682823807e+00 -3.475105129e+00 -3.710419454e+00 3.18 -2.619896633e+00 -3.427074077e+00 -3.673430363e+00 3.20 -2.557829475e+00 -3.377548823e+00 -3.633247860e+00 3.22 -2.496757563e+00 -3.326677844e+00 -3.590099251e+00 3.24 -2.436767482e+00 -3.274598016e+00 -3.544215751e+00 3.26 -2.377883054e+00 -3.221439240e+00 -3.495837618e+00 3.28 -2.320106113e+00 -3.167326783e+00 -3.445219335e+00 3.30 -2.263424801e+00 -3.112381896e+00 -3.392633967e+00 3.32 -2.207819707e+00 -3.056721365e+00 -3.338374684e+00 3.34 -2.153268267e+00 -3.000456613e+00 -3.282751691e+00 3.36 -2.099748051e+00 -2.943692977e+00 -3.226083694e+00 3.38 -2.047234366e+00 -2.886529635e+00 -3.168684643e+00 3.40 -1.995682689e+00 -2.829060512e+00 -3.110848172e+00 3.42 -1.945048114e+00 -2.771376685e+00 -3.052833230e+00 3.44 -1.895297319e+00 -2.713569079e+00 -2.994854173e+00 3.46 -1.846404656e+00 -2.655732563e+00 -2.937077150e+00 3.48 -1.798352094e+00 -2.597969600e+00 -2.879622746e+00 3.50 -1.751127307e+00 -2.540397597e+00 -2.822572812e+00 3.52 -1.704722715e+00 -2.483153333e+00 -2.765981593e+00 3.54 -1.659133935e+00 -2.426358283e+00 -2.709882746e+00 3.56 -1.614359251e+00 -2.370139371e+00 -2.654299430e+00 3.58 -1.570398858e+00 -2.314624043e+00 -2.599250736e+00 3.60 -1.527254390e+00 -2.259931488e+00 -2.544768978e+00 3.62 -1.484928572e+00 -2.206164326e+00 -2.490867434e+00 3.64 -1.443424948e+00 -2.153402468e+00 -2.437555067e+00 3.66 -1.402747570e+00 -2.101700202e+00 -2.384845391e+00 3.68 -1.362900655e+00 -2.051085830e+00 -2.332755058e+00 3.70 -1.323888169e+00 -2.001551884e+00 -2.281302242e+00 3.72 -1.285713397e+00 -1.953064313e+00 -2.230505115e+00 3.74 -1.248378556e+00 -1.905582147e+00 -2.180380594e+00 3.76 -1.211884478e+00 -1.859062326e+00 -2.130943471e+00 3.78 -1.176230424e+00 -1.813463249e+00 -2.082202306e+00 3.80 -1.141414006e+00 -1.768747248e+00 -2.034147156e+00 3.82 -1.107431210e+00 -1.724882030e+00 -1.986764143e+00 3.84 -1.074276502e+00 -1.681841237e+00 -1.940041290e+00 3.86 -1.041942973e+00 -1.639604340e+00 -1.893968263e+00 3.88 -1.010422507e+00 -1.598156065e+00 -1.848536351e+00 3.90 -9.797059507e-01 -1.557485537e+00 -1.803738595e+00 3.92 -9.497831442e-01 -1.517585145e+00 -1.759569897e+00 3.94 -9.206435578e-01 -1.478450227e+00 -1.716028227e+00 3.96 -8.922755897e-01 -1.440077113e+00 -1.673114021e+00 3.98 -8.646672017e-01 -1.402463128e+00 -1.630831721e+00 4.00 -8.378058104e-01 -1.365605801e+00 -1.589190248e+00 4.02 -8.116783055e-01 -1.329502449e+00 -1.548203560e+00 4.04 -7.862710516e-01 -1.294149892e+00 -1.507890896e+00 4.06 -7.615698809e-01 -1.259544286e+00 -1.468276509e+00 4.08 -7.375600823e-01 -1.225681026e+00 -1.429388758e+00 4.10 -7.142263946e-01 -1.192554217e+00 -1.391258509e+00 4.12 -6.915530063e-01 -1.160158685e+00 -1.353916932e+00 4.14 -6.695235667e-01 -1.128486780e+00 -1.317392964e+00 4.16 -6.481212080e-01 -1.097530639e+00 -1.281710776e+00 4.18 -6.273285795e-01 -1.067281610e+00 -1.246887643e+00 4.20 -6.071277490e-01 -1.037730277e+00 -1.212932547e+00 4.22 -5.875008443e-01 -1.008866505e+00 -1.179845664e+00 4.24 -5.684291739e-01 -9.806794994e-01 -1.147618743e+00 4.26 -5.498939357e-01 -9.531578873e-01 -1.116236207e+00 4.28 -5.318760917e-01 -9.262898131e-01 -1.085676728e+00 4.30 -5.143564113e-01 -9.000630566e-01 -1.055915006e+00 4.32 -4.973155082e-01 -8.744651605e-01 -1.026923505e+00 4.34 -4.807338713e-01 -8.494835612e-01 -9.986740029e-01 4.36 -4.645917059e-01 -8.251057128e-01 -9.711388357e-01 4.38 -4.488697570e-01 -8.013191945e-01 -9.442918203e-01 4.40 -4.335481100e-01 -7.781117898e-01 -9.181088563e-01 4.42 -4.186071377e-01 -7.554715329e-01 -8.925682442e-01 4.44 -4.040273753e-01 -7.333867165e-01 -8.676507644e-01 4.46 -3.897896809e-01 -7.118458639e-01 -8.433395700e-01 4.48 -3.758754643e-01 -6.908376678e-01 -8.196199442e-01 4.50 -3.622669989e-01 -6.703509044e-01 -7.964789703e-01 4.52 -3.489477000e-01 -6.503743320e-01 -7.739045698e-01 4.54 -3.359031479e-01 -6.308965840e-01 -7.518876019e-01 4.56 -3.231208464e-01 -6.119060662e-01 -7.304176278e-01 4.58 -3.105914428e-01 -5.933908662e-01 -7.094853466e-01 4.60 -2.983092248e-01 -5.753386838e-01 -6.890816403e-01 4.62 -2.862727113e-01 -5.577367842e-01 -6.691974061e-01 4.64 -2.744850909e-01 -5.405719820e-01 -6.498234501e-01 4.66 -2.629544082e-01 -5.238306556e-01 -6.309504326e-01 4.68 -2.516933987e-01 -5.074987958e-01 -6.125688542e-01 4.70 -2.407188980e-01 -4.915620922e-01 -5.946690704e-01 4.72 -2.300507994e-01 -4.760060572e-01 -5.772413243e-01 4.74 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-1.259140708e-01 -1.832590549e-01 5.46 -3.504628402e-02 -1.209775105e-01 -1.764705395e-01 5.48 -3.317288961e-02 -1.161398784e-01 -1.697672407e-01 5.50 -3.138828761e-02 -1.113892415e-01 -1.631381472e-01 5.52 -2.968269753e-02 -1.067148235e-01 -1.565730136e-01 5.54 -2.804724341e-02 -1.021070956e-01 -1.500624881e-01 5.56 -2.647408948e-02 -9.755790228e-02 -1.435991177e-01 5.58 -2.495652586e-02 -9.306062256e-02 -1.371766619e-01 5.60 -2.348896775e-02 -8.861036005e-02 -1.307912137e-01 5.62 -2.206691351e-02 -8.420414935e-02 -1.244414004e-01 5.64 -2.068718605e-02 -7.984116090e-02 -1.181287547e-01 5.66 -1.934773116e-02 -7.552288070e-02 -1.118580315e-01 5.68 -1.804753060e-02 -7.125323773e-02 -1.056374331e-01 5.70 -1.678650755e-02 -6.703864924e-02 -9.947870279e-02 5.72 -1.556541030e-02 -6.288795818e-02 -9.339705009e-02 5.74 -1.438567540e-02 -5.881224069e-02 -8.741087735e-02 5.76 -1.324927197e-02 -5.482447197e-02 -8.154129241e-02 5.78 -1.215853051e-02 -5.093905599e-02 -7.581141102e-02 5.80 -1.111596124e-02 -4.717122323e-02 -7.024547574e-02 5.82 -1.012406901e-02 -4.353634797e-02 -6.486784173e-02 5.84 -9.185173650e-03 -4.004922709e-02 -5.970189991e-02 5.86 -8.301245904e-03 -3.672336953e-02 -5.476901800e-02 5.88 -7.473768616e-03 -3.357032176e-02 -5.008758915e-02 5.90 -6.703631778e-03 -3.059904675e-02 -4.567224508e-02 5.92 -5.991067117e-03 -2.781567867e-02 -4.153332496e-02 5.94 -5.335624461e-03 -2.522298171e-02 -3.767660295e-02 5.96 -4.736188291e-03 -2.282178260e-02 -3.410328170e-02 5.98 -4.191029436e-03 -2.060998802e-02 -3.081019137e-02 6.00 -3.697884337e-03 -1.858279930e-02 -2.778927883e-02