# 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 = MoTi3 # 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 3.258727781e+02 nan nan 1.16 2.995798018e+02 nan nan 1.18 2.754634676e+02 nan nan 1.20 2.533305309e+02 nan nan 1.22 2.330034628e+02 nan nan 1.24 2.143206617e+02 nan nan 1.26 1.971355436e+02 nan nan 1.28 1.813151908e+02 2.819490086e+02 3.237511519e+02 1.30 1.667399779e+02 2.610603532e+02 3.003377173e+02 1.32 1.533034724e+02 2.417471109e+02 2.786506211e+02 1.34 1.409115802e+02 2.238775170e+02 2.585476525e+02 1.36 1.294809677e+02 2.073298237e+02 2.399006968e+02 1.38 1.189367967e+02 1.919932230e+02 2.225952078e+02 1.40 1.092103287e+02 1.777677381e+02 2.065285132e+02 1.42 1.002374775e+02 1.645634966e+02 1.916074743e+02 1.44 9.195848731e+01 1.523001905e+02 1.777467865e+02 1.46 8.431783285e+01 1.409065188e+02 1.648681218e+02 1.48 7.726385155e+01 1.303189341e+02 1.528993523e+02 1.50 7.074856572e+01 1.204799396e+02 1.417736225e+02 1.52 6.472797012e+01 1.113367119e+02 1.314287298e+02 1.54 5.916227011e+01 1.028404077e+02 1.218070133e+02 1.56 5.401557436e+01 9.494599029e+01 1.128553160e+02 1.58 4.925524169e+01 8.761210278e+01 1.045245813e+02 1.60 4.485139418e+01 8.080065585e+01 9.676924725e+01 1.62 4.077681152e+01 7.447623646e+01 8.954690292e+01 1.64 3.700696101e+01 6.860556128e+01 8.281839620e+01 1.66 3.351979853e+01 6.315700018e+01 7.654808328e+01 1.68 3.029528944e+01 5.810020235e+01 7.070374924e+01 1.70 2.731489472e+01 5.340601325e+01 6.525615574e+01 1.72 2.456322680e+01 4.904677057e+01 6.017854638e+01 1.74 2.202586348e+01 4.499675720e+01 5.544629245e+01 1.76 1.968744600e+01 4.123244711e+01 5.103664336e+01 1.78 1.753378583e+01 3.773241970e+01 4.692852434e+01 1.80 1.555180469e+01 3.447713010e+01 4.310234665e+01 1.82 1.372934978e+01 3.144874893e+01 3.953978679e+01 1.84 1.205496898e+01 2.863108630e+01 3.622356454e+01 1.86 1.051771673e+01 2.600959106e+01 3.313729787e+01 1.88 9.107037869e+00 2.357317286e+01 3.026545662e+01 1.90 7.812759760e+00 2.131051529e+01 2.759333582e+01 1.92 6.625189793e+00 1.921017732e+01 2.510822757e+01 1.94 5.535262509e+00 1.726138731e+01 2.279838792e+01 1.96 4.534656752e+00 1.545396746e+01 2.065118391e+01 1.98 3.615838677e+00 1.377834451e+01 1.865462349e+01 2.00 2.772033095e+00 1.222555783e+01 1.679758428e+01 2.02 1.997149937e+00 1.078720175e+01 1.506987116e+01 2.04 1.285697377e+00 9.455322240e+00 1.346221341e+01 2.06 6.327022928e-01 8.222338309e+00 1.196622781e+01 2.08 3.364605059e-02 7.081036916e+00 1.057436761e+01 2.10 -5.155900607e-01 6.024631110e+00 9.279849293e+00 2.12 -1.018776362e+00 5.046829742e+00 8.076544960e+00 2.14 -1.479378438e+00 4.141873255e+00 6.958839515e+00 2.16 -1.900581833e+00 3.304523924e+00 5.921475719e+00 2.18 -2.285295648e+00 2.530020673e+00 4.959427356e+00 2.20 -2.636151538e+00 1.814013161e+00 4.067839309e+00 2.22 -2.955516031e+00 1.152485621e+00 3.242051192e+00 2.24 -3.245523257e+00 5.416851123e-01 2.477671328e+00 2.26 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2.62 -5.223292142e+00 -4.930403609e+00 -4.478938110e+00 2.64 -5.222475406e+00 -5.017021242e+00 -4.603819749e+00 2.66 -5.215716078e+00 -5.091431672e+00 -4.715623784e+00 2.68 -5.203066115e+00 -5.154277211e+00 -4.815332760e+00 2.70 -5.184573847e+00 -5.206231571e+00 -4.903808689e+00 2.72 -5.160132145e+00 -5.248068381e+00 -4.981811408e+00 2.74 -5.129405473e+00 -5.280521390e+00 -5.049993477e+00 2.76 -5.092136011e+00 -5.304286523e+00 -5.108877119e+00 2.78 -5.048166657e+00 -5.320067593e+00 -5.159125614e+00 2.80 -4.997431062e+00 -5.328589308e+00 -5.201372854e+00 2.82 -4.939943733e+00 -5.330320039e+00 -5.236205918e+00 2.84 -4.875791315e+00 -5.325667577e+00 -5.264171973e+00 2.86 -4.805124583e+00 -5.314964983e+00 -5.285825458e+00 2.88 -4.728151873e+00 -5.298437107e+00 -5.301751383e+00 2.90 -4.645132734e+00 -5.276334042e+00 -5.312266505e+00 2.92 -4.556373341e+00 -5.248917457e+00 -5.317642983e+00 2.94 -4.462223544e+00 -5.216329486e+00 -5.318024646e+00 2.96 -4.363076307e+00 -5.178677047e+00 -5.313483284e+00 2.98 -4.259372026e+00 -5.135980766e+00 -5.304087098e+00 3.00 -4.151606738e+00 -5.088317809e+00 -5.289895526e+00 3.02 -4.040342937e+00 -5.035871605e+00 -5.270960555e+00 3.04 -3.926219261e+00 -4.978912194e+00 -5.247263675e+00 3.06 -3.809954309e+00 -4.917769083e+00 -5.218573965e+00 3.08 -3.692339965e+00 -4.852797823e+00 -5.184672903e+00 3.10 -3.574221319e+00 -4.784348063e+00 -5.145406358e+00 3.12 -3.456463371e+00 -4.712737725e+00 -5.100678796e+00 3.14 -3.339908585e+00 -4.638238727e+00 -5.050447301e+00 3.16 -3.225332575e+00 -4.561072951e+00 -4.994715767e+00 3.18 -3.113406154e+00 -4.481418297e+00 -4.933529967e+00 3.20 -3.004669974e+00 -4.399419175e+00 -4.866974314e+00 3.22 -2.899524152e+00 -4.315198785e+00 -4.795171355e+00 3.24 -2.798231325e+00 -4.228870836e+00 -4.718284101e+00 3.26 -2.700929381e+00 -4.140549723e+00 -4.636521957e+00 3.28 -2.607649743e+00 -4.050359005e+00 -4.550148920e+00 3.30 -2.518337976e+00 -3.958438394e+00 -4.459492504e+00 3.32 -2.432874522e+00 -3.864949475e+00 -4.364950703e+00 3.34 -2.351094075e+00 -3.770080220e+00 -4.266993998e+00 3.36 -2.272803050e+00 -3.674048206e+00 -4.166160060e+00 3.38 -2.197793439e+00 -3.577102300e+00 -4.063040415e+00 3.40 -2.125854263e+00 -3.479522562e+00 -3.958260496e+00 3.42 -2.056779464e+00 -3.381618418e+00 -3.852456336e+00 3.44 -1.990373550e+00 -3.283724543e+00 -3.746251686e+00 3.46 -1.926454262e+00 -3.186195348e+00 -3.640238604e+00 3.48 -1.864854454e+00 -3.089397631e+00 -3.534962931e+00 3.50 -1.805422355e+00 -2.993701826e+00 -3.430914336e+00 3.52 -1.748021610e+00 -2.899471903e+00 -3.328521077e+00 3.54 -1.692530102e+00 -2.807054080e+00 -3.228145620e+00 3.56 -1.638839393e+00 -2.716764768e+00 -3.130084324e+00 3.58 -1.586853598e+00 -2.628878593e+00 -3.034567903e+00 3.60 -1.536488269e+00 -2.543617868e+00 -2.941763895e+00 3.62 -1.487669236e+00 -2.461145081e+00 -2.851780868e+00 3.64 -1.440331402e+00 -2.381559730e+00 -2.764674156e+00 3.66 -1.394417527e+00 -2.304900071e+00 -2.680452764e+00 3.68 -1.349877030e+00 -2.231149368e+00 -2.599086951e+00 3.70 -1.306664835e+00 -2.160245405e+00 -2.520515970e+00 3.72 -1.264740321e+00 -2.092091611e+00 -2.444655510e+00 3.74 -1.224066384e+00 -2.026568234e+00 -2.371404488e+00 3.76 -1.184608632e+00 -1.963542362e+00 -2.300650959e+00 3.78 -1.146334734e+00 -1.902876146e+00 -2.232277048e+00 3.80 -1.109213904e+00 -1.844432985e+00 -2.166162907e+00 3.82 -1.073216505e+00 -1.788081810e+00 -2.102189765e+00 3.84 -1.038313763e+00 -1.733699744e+00 -2.040242211e+00 3.86 -1.004477568e+00 -1.681173483e+00 -1.980209852e+00 3.88 -9.716803370e-01 -1.630399761e+00 -1.921988502e+00 3.90 -9.398949255e-01 -1.581285157e+00 -1.865481064e+00 3.92 -9.090945193e-01 -1.533745444e+00 -1.810598112e+00 3.94 -8.792528408e-01 -1.487705082e+00 -1.757258927e+00 3.96 -8.503437526e-01 -1.443095822e+00 -1.705391385e+00 3.98 -8.223415130e-01 -1.399856120e+00 -1.654932978e+00 4.00 -7.952206957e-01 -1.357930162e+00 -1.605831140e+00 4.02 -7.689561798e-01 -1.317267047e+00 -1.558043503e+00 4.04 -7.435231372e-01 -1.277820053e+00 -1.511537797e+00 4.06 -7.188970169e-01 -1.239545994e+00 -1.466291216e+00 4.08 -6.950535241e-01 -1.202404659e+00 -1.422289128e+00 4.10 -6.719685964e-01 -1.166358118e+00 -1.379523088e+00 4.12 -6.496183759e-01 -1.131371212e+00 -1.337988271e+00 4.14 -6.279791791e-01 -1.097409790e+00 -1.297680571e+00 4.16 -6.070274644e-01 -1.064441422e+00 -1.258593759e+00 4.18 -5.867398008e-01 -1.032434907e+00 -1.220717069e+00 4.20 -5.670926942e-01 -1.001360086e+00 -1.184033567e+00 4.22 -5.480631578e-01 -9.711877124e-01 -1.148519434e+00 4.24 -5.296277464e-01 -9.418893570e-01 -1.114144186e+00 4.26 -5.117632021e-01 -9.134373606e-01 -1.080871622e+00 4.28 -4.944462678e-01 -8.858048156e-01 -1.048661265e+00 4.30 -4.776536837e-01 -8.589655785e-01 -1.017470002e+00 4.32 -4.613621933e-01 -8.328943015e-01 -9.872536955e-01 4.34 -4.455485577e-01 -8.075664756e-01 -9.579685921e-01 4.36 -4.301895422e-01 -7.829584729e-01 -9.295724407e-01 4.38 -4.152621247e-01 -7.590475795e-01 -9.020252970e-01 4.40 -4.007432921e-01 -7.358120088e-01 -8.752900268e-01 4.42 -3.866103144e-01 -7.132308904e-01 -8.493325495e-01 4.44 -3.728408213e-01 -6.912842295e-01 -8.241218739e-01 4.46 -3.594129788e-01 -6.699528386e-01 -7.996299786e-01 4.48 -3.463057310e-01 -6.492182441e-01 -7.758315845e-01 4.50 -3.334991178e-01 -6.290625736e-01 -7.527038621e-01 4.52 -3.209746824e-01 -6.094684321e-01 -7.302258498e-01 4.54 -3.087159666e-01 -5.904187753e-01 -7.083791983e-01 4.56 -2.967090877e-01 -5.718967873e-01 -6.871461692e-01 4.58 -2.849433689e-01 -5.538857702e-01 -6.665105310e-01 4.60 -2.734119768e-01 -5.363690510e-01 -6.464569966e-01 4.62 -2.621124964e-01 -5.193299115e-01 -6.269710127e-01 4.64 -2.510473538e-01 -5.027515441e-01 -6.080385884e-01 4.66 -2.402239840e-01 -4.866170367e-01 -5.896461603e-01 4.68 -2.296546475e-01 -4.709093918e-01 -5.717804910e-01 4.70 -2.193558208e-01 -4.556115808e-01 -5.544285943e-01 4.72 -2.093471362e-01 -4.407066403e-01 -5.375776837e-01 4.74 -1.996499116e-01 -4.261778131e-01 -5.212151386e-01 4.76 -1.902853876e-01 -4.120087381e-01 -5.053284841e-01 4.78 -1.812728510e-01 -3.981836932e-01 -4.899053798e-01 4.80 -1.726278621e-01 -3.846877698e-01 -4.749336164e-01 4.82 -1.643607998e-01 -3.715077248e-01 -4.604011151e-01 4.84 -1.564758907e-01 -3.586315724e-01 -4.462959303e-01 4.86 -1.489708151e-01 -3.460495461e-01 -4.326062523e-01 4.88 -1.418368918e-01 -3.337543533e-01 -4.193204101e-01 4.90 -1.350597689e-01 -3.217415308e-01 -4.064268731e-01 4.92 -1.286204895e-01 -3.100097065e-01 -3.939142514e-01 4.94 -1.224967827e-01 -2.985607152e-01 -3.817712937e-01 4.96 -1.166644355e-01 -2.873995162e-01 -3.699868839e-01 4.98 -1.110986247e-01 -2.765338754e-01 -3.585500349e-01 5.00 -1.057751258e-01 -2.659737944e-01 -3.474498810e-01 5.02 -1.006713429e-01 -2.557307021e-01 -3.366756670e-01 5.04 -9.576713628e-02 -2.458164606e-01 -3.262167364e-01 5.06 -9.104543327e-02 -2.362422717e-01 -3.160625168e-01 5.08 -8.649262265e-02 -2.270175893e-01 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-1.130632070e-01 -1.669151443e-01 5.46 -2.973303319e-02 -1.085973045e-01 -1.605928623e-01 5.48 -2.816045455e-02 -1.042152756e-01 -1.543423965e-01 5.50 -2.667344687e-02 -9.990471954e-02 -1.481529752e-01 5.52 -2.526177997e-02 -9.565449170e-02 -1.420146382e-01 5.54 -2.391590618e-02 -9.145481978e-02 -1.359184655e-01 5.56 -2.262723569e-02 -8.729745006e-02 -1.298571760e-01 5.58 -2.138821633e-02 -8.317582209e-02 -1.238250848e-01 5.60 -2.019234650e-02 -7.908526448e-02 -1.178187791e-01 5.62 -1.903421460e-02 -7.502319847e-02 -1.118374368e-01 5.64 -1.790951855e-02 -7.098933200e-02 -1.058831950e-01 5.66 -1.681506627e-02 -6.698582141e-02 -9.996146289e-02 5.68 -1.574875591e-02 -6.301737751e-02 -9.408113877e-02 5.70 -1.470953289e-02 -5.909128514e-02 -8.825469374e-02 5.72 -1.369732056e-02 -5.521731292e-02 -8.249808309e-02 5.74 -1.271292133e-02 -5.140749352e-02 -7.683045722e-02 5.76 -1.175788723e-02 -4.767576305e-02 -7.127365709e-02 5.78 -1.083436128e-02 -4.403731050e-02 -6.585149908e-02 5.80 -9.944894536e-03 -4.050822198e-02 -6.058887887e-02 5.82 -9.092247251e-03 -3.710480950e-02 -5.551074342e-02 5.84 -8.279185249e-03 -3.384273317e-02 -5.064100359e-02 5.86 -7.508284694e-03 -3.073628230e-02 -4.600147123e-02 5.88 -6.781758269e-03 -2.779773148e-02 -4.161090402e-02 5.90 -6.101314278e-03 -2.503682157e-02 -3.748423011e-02 5.92 -5.468056930e-03 -2.246029351e-02 -3.363185248e-02 5.94 -4.882431858e-03 -2.007166644e-02 -3.005932601e-02 5.96 -4.344216434e-03 -1.787183941e-02 -2.676826401e-02 5.98 -3.852550354e-03 -1.585877753e-02 -2.375585515e-02 6.00 -3.405998914e-03 -1.402778081e-02 -2.101510237e-02