# 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 = CuTi3 # 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 2.498673671e+02 nan nan 1.16 2.293442820e+02 nan nan 1.18 2.105209369e+02 nan nan 1.20 1.932477883e+02 nan nan 1.22 1.773911490e+02 nan nan 1.24 1.628305250e+02 nan nan 1.26 1.494558466e+02 nan nan 1.28 1.371653672e+02 2.154784274e+02 2.481846906e+02 1.30 1.258649482e+02 1.991521540e+02 2.298805654e+02 1.32 1.154679599e+02 1.840699533e+02 2.129443077e+02 1.34 1.058953137e+02 1.701291666e+02 1.972639059e+02 1.36 9.707597961e+01 1.572354830e+02 1.827368364e+02 1.38 8.894717827e+01 1.453036361e+02 1.692702509e+02 1.40 8.145337542e+01 1.342564524e+02 1.567805631e+02 1.42 7.454477434e+01 1.240236187e+02 1.451922441e+02 1.44 6.817620755e+01 1.145412493e+02 1.344368540e+02 1.46 6.230620917e+01 1.057517560e+02 1.244524074e+02 1.48 5.689607277e+01 9.760302396e+01 1.151823188e+02 1.50 5.190945308e+01 9.004710264e+01 1.065741175e+02 1.52 4.731268465e+01 8.303926455e+01 9.857885230e+01 1.54 4.307507239e+01 7.653773825e+01 9.115131267e+01 1.56 3.916854722e+01 7.050388534e+01 8.425020456e+01 1.58 3.556698720e+01 6.490241379e+01 7.783763992e+01 1.60 3.224584259e+01 5.970136981e+01 7.187827047e+01 1.62 2.918226373e+01 5.487193939e+01 6.633876423e+01 1.64 2.635541878e+01 5.038809962e+01 6.118789289e+01 1.66 2.374703037e+01 4.622604294e+01 5.639686180e+01 1.68 2.134019489e+01 4.236347930e+01 5.193934700e+01 1.70 1.911919876e+01 3.877917184e+01 4.779121046e+01 1.72 1.706966074e+01 3.545293390e+01 4.393024001e+01 1.74 1.517846108e+01 3.236591710e+01 4.033602096e+01 1.76 1.343375920e+01 2.950079965e+01 3.698981901e+01 1.78 1.182499582e+01 2.684170207e+01 3.387443496e+01 1.80 1.034277116e+01 2.437427597e+01 3.097407281e+01 1.82 8.978599444e+00 2.208537200e+01 2.827421037e+01 1.84 7.724619463e+00 1.996248510e+01 2.576150196e+01 1.86 6.573338289e+00 1.799403398e+01 2.342408804e+01 1.88 5.517458529e+00 1.616930272e+01 2.125080291e+01 1.90 4.549822739e+00 1.447823338e+01 1.923113438e+01 1.92 3.663480177e+00 1.291130345e+01 1.735524146e+01 1.94 2.851830340e+00 1.145949582e+01 1.561372767e+01 1.96 2.108766066e+00 1.011436985e+01 1.399752389e+01 1.98 1.428758203e+00 8.868175200e+00 1.249793892e+01 2.00 8.068585635e-01 7.713903114e+00 1.110677468e+01 2.02 2.386297195e-01 6.645217513e+00 9.816410492e+00 2.04 -2.799624470e-01 5.656309305e+00 8.619825514e+00 2.06 -7.526512001e-01 4.741768433e+00 7.510577448e+00 2.08 -1.182938352e+00 3.896533365e+00 6.482760796e+00 2.10 -1.574129591e+00 3.115906379e+00 5.530947397e+00 2.12 -1.929348447e+00 2.395577885e+00 4.650106357e+00 2.14 -2.251534963e+00 1.731613633e+00 3.835503309e+00 2.16 -2.543427540e+00 1.120399186e+00 3.082596430e+00 2.18 -2.807531779e+00 5.585614771e-01 2.386963728e+00 2.20 -3.046095120e+00 4.289030762e-02 1.744297627e+00 2.22 -3.261104099e+00 -4.297269903e-01 1.150482200e+00 2.24 -3.454307787e+00 -8.623468655e-01 6.017148902e-01 2.26 -3.627256050e+00 -1.257979391e+00 9.460862701e-02 2.28 -3.781338930e+00 -1.619565881e+00 -3.737813867e-01 2.30 -3.917819536e+00 -1.949931037e+00 -8.060093055e-01 2.32 -4.037860765e+00 -2.251726178e+00 -1.204333672e+00 2.34 -4.142547922e+00 -2.527373186e+00 -1.570811422e+00 2.36 -4.232908504e+00 -2.779025381e+00 -1.907364959e+00 2.38 -4.309929680e+00 -3.008555176e+00 -2.215816299e+00 2.40 -4.374573590e+00 -3.217574994e+00 -2.497894089e+00 2.42 -4.427789743e+00 -3.407484404e+00 -2.755228498e+00 2.44 -4.470523685e+00 -3.579526894e+00 -2.989346415e+00 2.46 -4.503789981e+00 -3.734841382e+00 -3.201676790e+00 2.48 -4.528632890e+00 -3.874499043e+00 -3.393568439e+00 2.50 -4.545779776e+00 -3.999523685e+00 -3.566317414e+00 2.52 -4.555955362e+00 -4.110897905e+00 -3.721196506e+00 2.54 -4.559874973e+00 -4.209559445e+00 -3.859480545e+00 2.56 -4.558221201e+00 -4.296393342e+00 -3.982458368e+00 2.58 -4.551625704e+00 -4.372225432e+00 -4.091425617e+00 2.60 -4.540657293e+00 -4.437821040e+00 -4.187656631e+00 2.62 -4.525704421e+00 -4.493889641e+00 -4.272361190e+00 2.64 -4.507028080e+00 -4.541094221e+00 -4.346639655e+00 2.66 -4.484518769e+00 -4.580066163e+00 -4.411450092e+00 2.68 -4.458024838e+00 -4.611500241e+00 -4.467599329e+00 2.70 -4.427475047e+00 -4.635940494e+00 -4.515756238e+00 2.72 -4.392863196e+00 -4.653870042e+00 -4.556479774e+00 2.74 -4.354236102e+00 -4.665691944e+00 -4.590251010e+00 2.76 -4.311683352e+00 -4.671799366e+00 -4.617605548e+00 2.78 -4.265328227e+00 -4.672567508e+00 -4.638962511e+00 2.80 -4.215332386e+00 -4.668346826e+00 -4.654569270e+00 2.82 -4.161891141e+00 -4.659461458e+00 -4.664701085e+00 2.84 -4.105208947e+00 -4.646172485e+00 -4.669660133e+00 2.86 -4.045495166e+00 -4.628609528e+00 -4.669772861e+00 2.88 -3.982962630e+00 -4.607000984e+00 -4.665385431e+00 2.90 -3.917824908e+00 -4.581226104e+00 -4.656856452e+00 2.92 -3.850293464e+00 -4.551201041e+00 -4.644540906e+00 2.94 -3.780574225e+00 -4.516938816e+00 -4.628641859e+00 2.96 -3.708865061e+00 -4.478537969e+00 -4.609377838e+00 2.98 -3.635357162e+00 -4.436172938e+00 -4.586743718e+00 3.00 -3.560240706e+00 -4.390085269e+00 -4.560673495e+00 3.02 -3.483714647e+00 -4.340573168e+00 -4.531144570e+00 3.04 -3.405998234e+00 -4.287983146e+00 -4.498169090e+00 3.06 -3.327340719e+00 -4.232701374e+00 -4.461788672e+00 3.08 -3.248025567e+00 -4.175110138e+00 -4.422070569e+00 3.10 -3.168366473e+00 -4.115561416e+00 -4.379104023e+00 3.12 -3.088694682e+00 -4.054360541e+00 -4.332996564e+00 3.14 -3.009339904e+00 -3.991759308e+00 -4.283881684e+00 3.16 -2.930609502e+00 -3.927956731e+00 -4.231912183e+00 3.18 -2.852771174e+00 -3.863107094e+00 -4.177241301e+00 3.20 -2.776042843e+00 -3.797330167e+00 -4.120019796e+00 3.22 -2.700590520e+00 -3.730721509e+00 -4.060396646e+00 3.24 -2.626532374e+00 -3.663361094e+00 -3.998522432e+00 3.26 -2.553946096e+00 -3.595319788e+00 -3.934556073e+00 3.28 -2.482877055e+00 -3.526663850e+00 -3.868673181e+00 3.30 -2.413345794e+00 -3.457457945e+00 -3.801074304e+00 3.32 -2.345354424e+00 -3.387767160e+00 -3.731990416e+00 3.34 -2.278891871e+00 -3.317658414e+00 -3.661683128e+00 3.36 -2.213938458e+00 -3.247201567e+00 -3.590438156e+00 3.38 -2.150468857e+00 -3.176470435e+00 -3.518552405e+00 3.40 -2.088454853e+00 -3.105543878e+00 -3.446317130e+00 3.42 -2.027866828e+00 -3.034507313e+00 -3.374001045e+00 3.44 -1.968674909e+00 -2.963454139e+00 -3.301837201e+00 3.46 -1.910849050e+00 -2.892487731e+00 -3.230016100e+00 3.48 -1.854359413e+00 -2.821723043e+00 -3.158685383e+00 3.50 -1.799176228e+00 -2.751287445e+00 -3.087954536e+00 3.52 -1.745270065e+00 -2.681319978e+00 -3.017903252e+00 3.54 -1.692611355e+00 -2.611968344e+00 -2.948588711e+00 3.56 -1.641170754e+00 -2.543383340e+00 -2.880053716e+00 3.58 -1.590919084e+00 -2.475711191e+00 -2.812332161e+00 3.60 -1.541827345e+00 -2.409084948e+00 -2.745452877e+00 3.62 -1.493866670e+00 -2.343616664e+00 -2.679441895e+00 3.64 -1.447008226e+00 -2.279391955e+00 -2.614323532e+00 3.66 -1.401223084e+00 -2.216468017e+00 -2.550120712e+00 3.68 -1.356482107e+00 -2.154875201e+00 -2.486854837e+00 3.70 -1.312755921e+00 -2.094621480e+00 -2.424545444e+00 3.72 -1.270015043e+00 -2.035698606e+00 -2.363209808e+00 3.74 -1.228230235e+00 -1.978088697e+00 -2.302862564e+00 3.76 -1.187373136e+00 -1.921770227e+00 -2.243515400e+00 3.78 -1.147417199e+00 -1.866722725e+00 -2.185176848e+00 3.80 -1.108338915e+00 -1.812929869e+00 -2.127852166e+00 3.82 -1.070119269e+00 -1.760380928e+00 -2.071543335e+00 3.84 -1.032745306e+00 -1.709070719e+00 -2.016249152e+00 3.86 -9.962116245e-01 -1.658998375e+00 -1.961965459e+00 3.88 -9.605215865e-01 -1.610165335e+00 -1.908685487e+00 3.90 -9.256879578e-01 -1.562572994e+00 -1.856400358e+00 3.92 -8.917327002e-01 -1.516220352e+00 -1.805099635e+00 3.94 -8.586860736e-01 -1.471102430e+00 -1.754772551e+00 3.96 -8.265841019e-01 -1.427208592e+00 -1.705408290e+00 3.98 -7.954657732e-01 -1.384522308e+00 -1.656997471e+00 4.00 -7.653693069e-01 -1.343021161e+00 -1.609533020e+00 4.02 -7.363283350e-01 -1.302677419e+00 -1.563011009e+00 4.04 -7.083684276e-01 -1.263458925e+00 -1.517431153e+00 4.06 -6.815044086e-01 -1.225330109e+00 -1.472796799e+00 4.08 -6.557387634e-01 -1.188253002e+00 -1.429114267e+00 4.10 -6.310612439e-01 -1.152187968e+00 -1.386391511e+00 4.12 -6.074495719e-01 -1.117095300e+00 -1.344636225e+00 4.14 -5.848709970e-01 -1.082934619e+00 -1.303853645e+00 4.16 -5.632843864e-01 -1.049666328e+00 -1.264044424e+00 4.18 -5.426425210e-01 -1.017251878e+00 -1.225203000e+00 4.20 -5.228941846e-01 -9.856542451e-01 -1.187316778e+00 4.22 -5.039867356e-01 -9.548384205e-01 -1.150366302e+00 4.24 -4.858667826e-01 -9.247719447e-01 -1.114326407e+00 4.26 -4.684820679e-01 -8.954254788e-01 -1.079168171e+00 4.28 -4.517821425e-01 -8.667734066e-01 -1.044861363e+00 4.30 -4.357188951e-01 -8.387944268e-01 -1.011377064e+00 4.32 -4.202468258e-01 -8.114720771e-01 -9.786901346e-01 4.34 -4.053231307e-01 -7.847951139e-01 -9.467812546e-01 4.36 -3.909076293e-01 -7.587576626e-01 -9.156383450e-01 4.38 -3.769627669e-01 -7.333590633e-01 -8.852572251e-01 4.40 -3.634532725e-01 -7.086033534e-01 -8.556414584e-01 4.42 -3.503461468e-01 -6.844983721e-01 -8.268014041e-01 4.44 -3.376105134e-01 -6.610545205e-01 -7.987525806e-01 4.46 -3.252175662e-01 -6.382832650e-01 -7.715135192e-01 4.48 -3.131405979e-01 -6.161955179e-01 -7.451033488e-01 4.50 -3.013551265e-01 -5.948000547e-01 -7.195393808e-01 4.52 -2.898391321e-01 -5.741021291e-01 -6.948347232e-01 4.54 -2.785734049e-01 -5.541024161e-01 -6.709975630e-01 4.56 -2.675419953e-01 -5.347963662e-01 -6.480285745e-01 4.58 -2.567327359e-01 -5.161739953e-01 -6.259215515e-01 4.60 -2.461377884e-01 -4.982200768e-01 -6.046632987e-01 4.62 -2.357541424e-01 -4.809146614e-01 -5.842342952e-01 4.64 -2.255839745e-01 -4.642338271e-01 -5.646096997e-01 4.66 -2.156347642e-01 -4.481505580e-01 -5.457605422e-01 4.68 -2.059190676e-01 -4.326356598e-01 -5.276549606e-01 4.70 -1.964538721e-01 -4.176586475e-01 -5.102593724e-01 4.72 -1.872595069e-01 -4.031885576e-01 -4.935395072e-01 4.74 -1.783581487e-01 -3.891946688e-01 -4.774612571e-01 4.76 -1.697720373e-01 -3.756471265e-01 -4.619913371e-01 4.78 -1.615215807e-01 -3.625174843e-01 -4.470977593e-01 4.80 -1.536235646e-01 -3.497790583e-01 -4.327501451e-01 4.82 -1.460896794e-01 -3.374078581e-01 -4.189199010e-01 4.84 -1.389255298e-01 -3.253821818e-01 -4.055802878e-01 4.86 -1.321302182e-01 -3.136835239e-01 -3.927064091e-01 4.88 -1.256965036e-01 -3.022967387e-01 -3.802751434e-01 4.90 -1.196114587e-01 -2.912102846e-01 -3.682650384e-01 4.92 -1.138574980e-01 -2.804163715e-01 -3.566561839e-01 4.94 -1.084136215e-01 -2.699109688e-01 -3.454300729e-01 4.96 -1.032567321e-01 -2.596936372e-01 -3.345694611e-01 4.98 -9.836290577e-02 -2.497671495e-01 -3.240582284e-01 5.00 -9.370853203e-02 -2.401368915e-01 -3.138812471e-01 5.02 -8.927127354e-02 -2.308100547e-01 -3.040242584e-01 5.04 -8.503082373e-02 -2.217946712e-01 -2.944737583e-01 5.06 -8.096945713e-02 -2.130985654e-01 -2.852168925e-01 5.08 -7.707237807e-02 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-3.016337982e-02 -1.017775758e-01 -1.502743563e-01 5.46 -2.866795400e-02 -9.775401428e-02 -1.445765677e-01 5.48 -2.724649451e-02 -9.380649376e-02 -1.389442906e-01 5.50 -2.589054235e-02 -8.992378419e-02 -1.333677283e-01 5.52 -2.459212705e-02 -8.609579661e-02 -1.278378288e-01 5.54 -2.334381851e-02 -8.231368562e-02 -1.223464833e-01 5.56 -2.213897783e-02 -7.856997992e-02 -1.168870883e-01 5.58 -2.097182530e-02 -7.485873836e-02 -1.114544654e-01 5.60 -1.983745071e-02 -7.117572518e-02 -1.060454966e-01 5.62 -1.873185740e-02 -6.751859238e-02 -1.006594021e-01 5.64 -1.765199085e-02 -6.388705363e-02 -9.529807095e-02 5.66 -1.659575138e-02 -6.028302956e-02 -8.996634162e-02 5.68 -1.556198804e-02 -5.671074139e-02 -8.467219638e-02 5.70 -1.455046992e-02 -5.317672842e-02 -7.942683558e-02 5.72 -1.356183090e-02 -4.968976664e-02 -7.424459716e-02 5.74 -1.259748417e-02 -4.626067065e-02 -6.914269572e-02 5.76 -1.165950530e-02 -4.290196874e-02 -6.414076788e-02 5.78 -1.075048501e-02 -3.962730138e-02 -5.926022903e-02 5.80 -9.873356451e-03 -3.645112840e-02 -5.452346426e-02 5.82 -9.031205450e-03 -3.338812778e-02 -4.995290366e-02 5.84 -8.227074914e-03 -3.045238953e-02 -4.557004480e-02 5.86 -7.463776572e-03 -2.765676863e-02 -4.139449615e-02 5.88 -6.743723225e-03 -2.501230562e-02 -3.744311822e-02 5.90 -6.068793089e-03 -2.252775966e-02 -3.372932924e-02 5.92 -5.440234578e-03 -2.020919442e-02 -3.026245868e-02 5.94 -4.858615688e-03 -1.805978145e-02 -2.704745006e-02 5.96 -4.323817603e-03 -1.608031139e-02 -2.408576838e-02 5.98 -3.835068097e-03 -1.426893651e-02 -2.137489360e-02 6.00 -3.391007197e-03 -1.262141459e-02 -1.890856539e-02