# 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 = Mo3Pt # 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 4.148103508e+02 nan nan 1.16 3.832475622e+02 nan nan 1.18 3.541596426e+02 nan nan 1.20 3.272910603e+02 nan nan 1.22 3.024176632e+02 nan nan 1.24 2.793520440e+02 nan nan 1.26 2.579437076e+02 nan nan 1.28 2.380747000e+02 3.622371019e+02 4.123146078e+02 1.30 2.196498987e+02 3.366927636e+02 3.838114207e+02 1.32 2.025831525e+02 3.129058052e+02 3.573166963e+02 1.34 1.867854988e+02 2.907596676e+02 3.326920842e+02 1.36 1.721612144e+02 2.701583999e+02 3.098029415e+02 1.38 1.586112952e+02 2.510115461e+02 2.885159388e+02 1.40 1.460396255e+02 2.332236391e+02 2.687025786e+02 1.42 1.343579777e+02 2.166922265e+02 2.502426296e+02 1.44 1.234890413e+02 2.013124799e+02 2.330246443e+02 1.46 1.133681182e+02 1.869840925e+02 2.169456833e+02 1.48 1.039432490e+02 1.736166555e+02 2.019128841e+02 1.50 9.517272399e+01 1.611316035e+02 1.878463113e+02 1.52 8.702042101e+01 1.494610843e+02 1.746804736e+02 1.54 7.945130601e+01 1.385454841e+02 1.623625720e+02 1.56 7.242900941e+01 1.283311806e+02 1.508475177e+02 1.58 6.591566396e+01 1.187689839e+02 1.400918186e+02 1.60 5.987312775e+01 1.098129926e+02 1.300493140e+02 1.62 5.426455001e+01 1.014197641e+02 1.206704098e+02 1.64 4.905553144e+01 9.354806738e+01 1.119041189e+02 1.66 4.421460315e+01 8.615941768e+01 1.037010203e+02 1.68 3.971371268e+01 7.921915941e+01 9.601560895e+01 1.70 3.553509648e+01 7.269750595e+01 8.880743932e+01 1.72 3.170014027e+01 6.656989456e+01 8.204117607e+01 1.74 2.820237897e+01 6.081630768e+01 7.568592609e+01 1.76 2.501279515e+01 5.541979686e+01 6.971421218e+01 1.78 2.210365624e+01 5.036492139e+01 6.410089154e+01 1.80 1.944852275e+01 4.563667735e+01 5.882225490e+01 1.82 1.702267149e+01 4.121994784e+01 5.385546129e+01 1.84 1.480366252e+01 3.710333333e+01 4.917839885e+01 1.86 1.277178486e+01 3.331594630e+01 4.476997811e+01 1.88 1.091018663e+01 2.986060851e+01 4.061107941e+01 1.90 9.204630864e+00 2.670636494e+01 3.669010388e+01 1.92 7.642972882e+00 2.382442032e+01 3.300647433e+01 1.94 6.214545067e+00 2.118856272e+01 2.959800972e+01 1.96 4.909627172e+00 1.877535064e+01 2.645491342e+01 1.98 3.719103165e+00 1.656406608e+01 2.356227886e+01 2.00 2.634310185e+00 1.453647490e+01 2.090524793e+01 2.02 1.647017305e+00 1.267646249e+01 1.846846518e+01 2.04 7.494524260e-01 1.096962792e+01 1.623597058e+01 2.06 -6.568278297e-02 9.402913886e+00 1.419151279e+01 2.08 -8.052304122e-01 7.964323447e+00 1.231910522e+01 2.10 -1.475610698e+00 6.642742302e+00 1.060358769e+01 2.12 -2.082840256e+00 5.427861083e+00 9.031018651e+00 2.14 -2.632510242e+00 4.310177683e+00 7.588840802e+00 2.16 -3.129731101e+00 3.281048333e+00 6.265862325e+00 2.18 -3.579080062e+00 2.332746972e+00 5.052139173e+00 2.20 -3.984590279e+00 1.458492333e+00 3.938833511e+00 2.22 -4.349794507e+00 6.524172790e-01 2.918083907e+00 2.24 -4.677805042e+00 -9.052061667e-02 1.982886320e+00 2.26 -4.971398901e+00 -7.746680097e-01 1.126972797e+00 2.28 -5.233084981e+00 -1.403817946e+00 3.446839355e-01 2.30 -5.465145516e+00 -1.981343524e+00 -3.691562303e-01 2.32 -5.669656171e+00 -2.510310945e+00 -1.019350939e+00 2.34 -5.848493993e+00 -2.993568130e+00 -1.610420239e+00 2.36 -6.003342020e+00 -3.433810088e+00 -2.146668825e+00 2.38 -6.135696201e+00 -3.833623746e+00 -2.632234429e+00 2.40 -6.246876669e+00 -4.195514989e+00 -3.071117969e+00 2.42 -6.338755497e+00 -4.521920502e+00 -3.467194229e+00 2.44 -6.413195834e+00 -4.815207757e+00 -3.824200522e+00 2.46 -6.470303520e+00 -5.077667822e+00 -4.145703017e+00 2.48 -6.510560040e+00 -5.311505997e+00 -4.435046287e+00 2.50 -6.534716099e+00 -5.518832812e+00 -4.695298343e+00 2.52 -6.543457966e+00 -5.701653293e+00 -4.929206469e+00 2.54 -6.537437561e+00 -5.861849380e+00 -5.139175919e+00 2.56 -6.517302114e+00 -6.001152795e+00 -5.327275686e+00 2.58 -6.483720887e+00 -6.121113119e+00 -5.495267539e+00 2.60 -6.437381658e+00 -6.223072760e+00 -5.644649921e+00 2.62 -6.378442169e+00 -6.308161002e+00 -5.776707844e+00 2.64 -6.306607613e+00 -6.377390214e+00 -5.892562182e+00 2.66 -6.221745649e+00 -6.432424163e+00 -5.993214816e+00 2.68 -6.123923779e+00 -6.474011838e+00 -6.079588537e+00 2.70 -6.013425177e+00 -6.502672913e+00 -6.152838139e+00 2.72 -5.890766024e+00 -6.518995860e+00 -6.214676799e+00 2.74 -5.756708906e+00 -6.523560911e+00 -6.265461085e+00 2.76 -5.612266612e+00 -6.516954743e+00 -6.306021314e+00 2.78 -5.458690442e+00 -6.499775739e+00 -6.337347642e+00 2.80 -5.297437505e+00 -6.472634386e+00 -6.360420124e+00 2.82 -5.130113788e+00 -6.436026638e+00 -6.376175003e+00 2.84 -4.958394936e+00 -6.390084532e+00 -6.385459999e+00 2.86 -4.783933444e+00 -6.334919361e+00 -6.388989192e+00 2.88 -4.608266444e+00 -6.270618325e+00 -6.387308658e+00 2.90 -4.432739636e+00 -6.197351766e+00 -6.380756525e+00 2.92 -4.258459444e+00 -6.115429017e+00 -6.369167564e+00 2.94 -4.086278782e+00 -6.025301340e+00 -6.352059039e+00 2.96 -3.916814337e+00 -5.927554307e+00 -6.328918360e+00 2.98 -3.750487723e+00 -5.822885284e+00 -6.299219928e+00 3.00 -3.587579649e+00 -5.712065024e+00 -6.262437877e+00 3.02 -3.428389189e+00 -5.595887014e+00 -6.218059802e+00 3.04 -3.273899134e+00 -5.475112278e+00 -6.165600343e+00 3.06 -3.125230626e+00 -5.350419039e+00 -6.104613888e+00 3.08 -2.983240056e+00 -5.222365447e+00 -6.034705730e+00 3.10 -2.848492745e+00 -5.091370031e+00 -5.955541138e+00 3.12 -2.721250333e+00 -4.957710345e+00 -5.866851957e+00 3.14 -2.601479130e+00 -4.821536894e+00 -5.768440808e+00 3.16 -2.488882512e+00 -4.682897783e+00 -5.660183417e+00 3.18 -2.382954138e+00 -4.541769432e+00 -5.542030136e+00 3.20 -2.283044212e+00 -4.398089569e+00 -5.414008088e+00 3.22 -2.188429188e+00 -4.251789981e+00 -5.276225473e+00 3.24 -2.098376157e+00 -4.102827592e+00 -5.128879396e+00 3.26 -2.012195784e+00 -3.951223464e+00 -4.972268060e+00 3.28 -1.929280825e+00 -3.797292810e+00 -4.806807330e+00 3.30 -1.849130045e+00 -3.641620131e+00 -4.633050650e+00 3.32 -1.771359208e+00 -3.484858109e+00 -4.451710135e+00 3.34 -1.695701650e+00 -3.327734834e+00 -4.263675569e+00 3.36 -1.622001032e+00 -3.171056626e+00 -4.070027237e+00 3.38 -1.550198564e+00 -3.015697727e+00 -3.872038763e+00 3.40 -1.480316524e+00 -2.862578306e+00 -3.671418966e+00 3.42 -1.412439533e+00 -2.712633153e+00 -3.470612827e+00 3.44 -1.346694846e+00 -2.566774453e+00 -3.272082532e+00 3.46 -1.283232742e+00 -2.425852718e+00 -3.078096930e+00 3.48 -1.222208175e+00 -2.290620205e+00 -2.890643020e+00 3.50 -1.163764629e+00 -2.161700683e+00 -2.711358543e+00 3.52 -1.108021034e+00 -2.039568441e+00 -2.541493215e+00 3.54 -1.055062316e+00 -1.924538015e+00 -2.381900756e+00 3.56 -1.004933778e+00 -1.816764646e+00 -2.233058889e+00 3.58 -9.576391772e-01 -1.716254176e+00 -2.095110691e+00 3.60 -9.131420265e-01 -1.622880216e+00 -1.967919154e+00 3.62 -8.713694341e-01 -1.536406000e+00 -1.851127085e+00 3.64 -8.322176703e-01 -1.456508367e+00 -1.744215917e+00 3.66 -7.955586381e-01 -1.382801671e+00 -1.646559064e+00 3.68 -7.612469483e-01 -1.314859970e+00 -1.557467373e+00 3.70 -7.291260951e-01 -1.252236398e+00 -1.476225786e+00 3.72 -6.990326926e-01 -1.194479187e+00 -1.402121455e+00 3.74 -6.708029090e-01 -1.141144212e+00 -1.334464156e+00 3.76 -6.442760448e-01 -1.091804249e+00 -1.272600201e+00 3.78 -6.192971276e-01 -1.046055319e+00 -1.215921082e+00 3.80 -5.957186758e-01 -1.003520596e+00 -1.163868046e+00 3.82 -5.734017310e-01 -9.638523554e-01 -1.115933615e+00 3.84 -5.522162852e-01 -9.267324568e-01 -1.071660947e+00 3.86 -5.320412348e-01 -8.918717625e-01 -1.030641715e+00 3.88 -5.127639902e-01 -8.590088706e-01 -9.925130493e-01 3.90 -4.942798517e-01 -8.279084546e-01 -9.569539684e-01 3.92 -4.764912515e-01 -7.983594507e-01 -9.236815682e-01 3.94 -4.593069449e-01 -7.701732920e-01 -8.924472042e-01 3.96 -4.426412200e-01 -7.431823058e-01 -8.630327874e-01 3.98 -4.264131915e-01 -7.172384016e-01 -8.352472953e-01 4.00 -4.105462331e-01 -6.922121131e-01 -8.089235392e-01 4.02 -3.949676017e-01 -6.679919625e-01 -7.839152116e-01 4.04 -3.796083071e-01 -6.444841606e-01 -7.600942208e-01 4.06 -3.644032767e-01 -6.216128501e-01 -7.373483184e-01 4.08 -3.492918618e-01 -5.993200423e-01 -7.155789563e-01 4.10 -3.342187251e-01 -5.775643159e-01 -6.946994037e-01 4.12 -3.191351292e-01 -5.563218722e-01 -6.746336197e-01 4.14 -3.040006209e-01 -5.355855527e-01 -6.553138077e-01 4.16 -2.887850617e-01 -5.153631421e-01 -6.366789175e-01 4.18 -2.734708984e-01 -4.956748419e-01 -6.186744940e-01 4.20 -2.580554985e-01 -4.765499367e-01 -6.012515334e-01 4.22 -2.425532992e-01 -4.580228088e-01 -5.843655218e-01 4.24 -2.269974544e-01 -4.401286074e-01 -5.679756164e-01 4.26 -2.114406255e-01 -4.228989837e-01 -5.520439421e-01 4.28 -1.959545724e-01 -4.063583287e-01 -5.365349783e-01 4.30 -1.806282831e-01 -3.905208845e-01 -5.214150247e-01 4.32 -1.655645292e-01 -3.753889670e-01 -5.066517317e-01 4.34 -1.508749544e-01 -3.609523625e-01 -4.922136904e-01 4.36 -1.366740353e-01 -3.471887983e-01 -4.780700762e-01 4.38 -1.230724881e-01 -3.340652597e-01 -4.641903450e-01 4.40 -1.101707808e-01 -3.215398612e-01 -4.505439838e-01 4.42 -9.805349932e-02 -3.095639953e-01 -4.371003181e-01 4.44 -8.678512308e-02 -2.980844794e-01 -4.238283845e-01 4.46 -7.640758973e-02 -2.870455431e-01 -4.106968779e-01 4.48 -6.693973718e-02 -2.763905558e-01 -3.976741863e-01 4.50 -5.837849284e-02 -2.660634731e-01 -3.847285297e-01 4.52 -5.070138459e-02 -2.560099637e-01 -3.718282157e-01 4.54 -4.386995972e-02 -2.461780633e-01 -3.589420610e-01 4.56 -3.783360254e-02 -2.365196500e-01 -3.460399237e-01 4.58 -3.253342830e-02 -2.269906674e-01 -3.330934633e-01 4.60 -2.790583102e-02 -2.175515889e-01 -3.200770607e-01 4.62 -2.388525826e-02 -2.081681060e-01 -3.069689279e-01 4.64 -2.040651511e-02 -1.988118319e-01 -2.937523849e-01 4.66 -1.740827982e-02 -1.894610334e-01 -2.804172624e-01 4.68 -1.483277659e-02 -1.801013769e-01 -2.669613630e-01 4.70 -1.262656730e-02 -1.707266415e-01 -2.533918834e-01 4.72 -1.074106193e-02 -1.613393280e-01 -2.397266682e-01 4.74 -9.132682242e-03 -1.519510678e-01 -2.259951429e-01 4.76 -7.762779682e-03 -1.425827294e-01 -2.122387637e-01 4.78 -6.597390117e-03 -1.332641184e-01 -1.985108279e-01 4.80 -5.606889688e-03 -1.240331926e-01 -1.848755265e-01 4.82 -4.765599607e-03 -1.149347546e-01 -1.714061798e-01 4.84 -4.051373799e-03 -1.060186326e-01 -1.581826869e-01 4.86 -3.445192546e-03 -9.733744283e-02 -1.452883135e-01 4.88 -2.930776932e-03 -8.894407156e-02 -1.328060440e-01 4.90 -2.494232642e-03 -8.088907734e-02 -1.208147917e-01 4.92 -2.123727264e-03 -7.321823023e-02 -1.093858001e-01 4.94 -1.809202382e-03 -6.597039864e-02 -9.857954974e-02 4.96 -1.542119701e-03 -5.917595308e-02 -8.844342960e-02 4.98 -1.315239196e-03 -5.285579224e-02 -7.901033109e-02 5.00 -1.122426690e-03 -4.702101886e-02 -7.029820813e-02 5.02 -9.584879693e-04 -4.167323587e-02 -6.231056017e-02 5.04 -8.190264267e-04 -3.680534494e-02 -5.503766278e-02 5.06 -7.003213672e-04 -3.240271248e-02 -4.845834404e-02 5.08 -5.992243102e-04 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-4.070339091e-05 -2.187127959e-03 -3.272126801e-03 5.46 -3.527635559e-05 -1.892457838e-03 -2.831259803e-03 5.48 -3.059218107e-05 -1.638052755e-03 -2.450635184e-03 5.50 -2.654655693e-05 -1.418388026e-03 -2.121987612e-03 5.52 -2.305018451e-05 -1.228687057e-03 -1.838170783e-03 5.54 -2.002656502e-05 -1.064824680e-03 -1.593012688e-03 5.56 -1.741012092e-05 -9.232414825e-04 -1.381188283e-03 5.58 -1.514459942e-05 -8.008683269e-04 -1.198105381e-03 5.60 -1.318171454e-05 -6.950601883e-04 -1.039806522e-03 5.62 -1.147999143e-05 -6.035383797e-04 -9.028823425e-04 5.64 -1.000378230e-05 -5.243402773e-04 -7.843963586e-04 5.66 -8.722427819e-06 -4.557756907e-04 -6.818196995e-04 5.68 -7.609542007e-06 -3.963890841e-04 -5.929745861e-04 5.70 -6.642402005e-06 -3.449269269e-04 -5.159854830e-04 5.72 -5.801427118e-06 -3.003095172e-04 -4.492369427e-04 5.74 -5.069733655e-06 -2.616066976e-04 -3.913372710e-04 5.76 -4.432754318e-06 -2.280169437e-04 -3.410872392e-04 5.78 -3.877912599e-06 -1.988493720e-04 -2.974531641e-04 5.80 -3.394344054e-06 -1.735082680e-04 -2.595437573e-04 5.82 -2.972657490e-06 -1.514797871e-04 -2.265902268e-04 5.84 -2.604730279e-06 -1.323205262e-04 -1.979291772e-04 5.86 -2.283532798e-06 -1.156477046e-04 -1.729879175e-04 5.88 -2.002977738e-06 -1.011307288e-04 -1.512718396e-04 5.90 -1.757790675e-06 -8.848394452e-05 -1.323535739e-04 5.92 -1.543398859e-06 -7.746040973e-05 -1.158636714e-04 5.94 -1.355835584e-06 -6.784654321e-05 -1.014825971e-04 5.96 -1.191657888e-06 -5.945752466e-05 -8.893384734e-05 5.98 -1.047875705e-06 -5.213333993e-05 -7.797803210e-05 6.00 -9.218908358e-07 -4.573537968e-05 -6.840778624e-05