# 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 = Co3Ta # 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 2.142949411e+02 nan nan 1.16 1.955423627e+02 nan nan 1.18 1.783958237e+02 nan nan 1.20 1.627095909e+02 nan nan 1.22 1.483550954e+02 nan nan 1.24 1.352171347e+02 nan nan 1.26 1.231903474e+02 nan nan 1.28 1.121774879e+02 1.825969122e+02 2.124213966e+02 1.30 1.020899288e+02 1.677677441e+02 1.956964702e+02 1.32 9.284828794e+01 1.541090319e+02 1.802655824e+02 1.34 8.438135433e+01 1.415213372e+02 1.660225544e+02 1.36 7.662404126e+01 1.299162035e+02 1.528733997e+02 1.38 6.951586694e+01 1.192148697e+02 1.407331354e+02 1.40 6.300029485e+01 1.093467164e+02 1.295230444e+02 1.42 5.702445697e+01 1.002476555e+02 1.191691313e+02 1.44 5.153919887e+01 9.185828022e+01 1.096013441e+02 1.46 4.649964782e+01 8.412231359e+01 1.007535828e+02 1.48 4.186596352e+01 7.698603856e+01 9.256471978e+01 1.50 3.760361953e+01 7.039859532e+01 8.497983130e+01 1.52 3.368292376e+01 6.431257581e+01 7.795059829e+01 1.54 3.007800124e+01 5.868465549e+01 7.143469775e+01 1.56 2.676668104e+01 5.347616001e+01 6.539462456e+01 1.58 2.373265646e+01 4.865324147e+01 5.979652215e+01 1.60 2.095585357e+01 4.418642131e+01 5.460941397e+01 1.62 1.841703173e+01 4.004967332e+01 4.980476164e+01 1.64 1.609911278e+01 3.621945386e+01 4.535601411e+01 1.66 1.398336523e+01 3.267400957e+01 4.123806249e+01 1.68 1.205191107e+01 2.939307459e+01 3.742682854e+01 1.70 1.028821323e+01 2.635884527e+01 3.389916235e+01 1.72 8.677336654e+00 2.355837523e+01 3.063299328e+01 1.74 7.206038263e+00 2.097541825e+01 2.760759793e+01 1.76 5.862670137e+00 1.859447283e+01 2.480615034e+01 1.78 4.636967724e+00 1.640247538e+01 2.221483897e+01 1.80 3.519806530e+00 1.438654728e+01 1.981797410e+01 1.82 2.502977606e+00 1.253416340e+01 1.760269722e+01 1.84 1.579014275e+00 1.083388739e+01 1.555769937e+01 1.86 7.410834549e-01 9.275173274e+00 1.367110901e+01 1.88 -1.708291542e-02 7.848133922e+00 1.193172069e+01 1.90 -7.012535114e-01 6.543332400e+00 1.032890827e+01 1.92 -1.316769744e+00 5.351628809e+00 8.852699784e+00 1.94 -1.868606965e+00 4.264107031e+00 7.493883270e+00 1.96 -2.361410225e+00 3.272093161e+00 6.244029371e+00 1.98 -2.799510678e+00 2.367254965e+00 5.095424565e+00 2.00 -3.186942340e+00 1.541754576e+00 4.040976890e+00 2.02 -3.527475916e+00 7.884139597e-01 3.074144656e+00 2.04 -3.824674052e+00 1.008406264e-01 2.188899475e+00 2.06 -4.081960512e+00 -5.265304196e-01 1.379707010e+00 2.08 -4.302688093e+00 -1.098486860e+00 6.414965061e-01 2.10 -4.490186520e+00 -1.619154497e+00 -3.040606822e-02 2.12 -4.647773312e+00 -2.092137657e+00 -6.403875315e-01 2.14 -4.778577311e+00 -2.520649301e+00 -1.192682845e+00 2.16 -4.885865484e+00 -2.907609506e+00 -1.691504156e+00 2.18 -4.972898345e+00 -3.255708225e+00 -2.141126380e+00 2.20 -5.042639388e+00 -3.567443493e+00 -2.545897087e+00 2.22 -5.097697572e+00 -3.845152432e+00 -2.910155311e+00 2.24 -5.140249771e+00 -4.091047123e+00 -3.238073728e+00 2.26 -5.171614661e+00 -4.307256685e+00 -3.533472028e+00 2.28 -5.192635710e+00 -4.495868886e+00 -3.799666281e+00 2.30 -5.204085283e+00 -4.658961992e+00 -4.039403244e+00 2.32 -5.206662772e+00 -4.798590490e+00 -4.254888378e+00 2.34 -5.200997414e+00 -4.916692338e+00 -4.447879939e+00 2.36 -5.187659074e+00 -5.015526069e+00 -4.619808902e+00 2.38 -5.167231810e+00 -5.097292255e+00 -4.771892954e+00 2.40 -5.140295975e+00 -5.164003589e+00 -4.905228205e+00 2.42 -5.107172478e+00 -5.217445407e+00 -5.020767851e+00 2.44 -5.068205407e+00 -5.259082700e+00 -5.119542881e+00 2.46 -5.023774611e+00 -5.289731382e+00 -5.202703426e+00 2.48 -4.974286826e+00 -5.310044011e+00 -5.271383692e+00 2.50 -4.920162461e+00 -5.320712652e+00 -5.326688704e+00 2.52 -4.861820160e+00 -5.322446283e+00 -5.369673042e+00 2.54 -4.799595038e+00 -5.315961468e+00 -5.401321684e+00 2.56 -4.733628638e+00 -5.301982874e+00 -5.422485359e+00 2.58 -4.664076125e+00 -5.281263503e+00 -5.433658815e+00 2.60 -4.591148855e+00 -5.254567643e+00 -5.435242453e+00 2.62 -4.515119417e+00 -5.222632831e+00 -5.427666762e+00 2.64 -4.436322208e+00 -5.186044304e+00 -5.411405345e+00 2.66 -4.355143928e+00 -5.145259869e+00 -5.387018592e+00 2.68 -4.272002927e+00 -5.100665074e+00 -5.355183919e+00 2.70 -4.187322027e+00 -5.052573479e+00 -5.316429816e+00 2.72 -4.101502737e+00 -5.001241761e+00 -5.271329986e+00 2.74 -4.014907187e+00 -4.946877999e+00 -5.220507002e+00 2.76 -3.927849143e+00 -4.889616267e+00 -5.164610951e+00 2.78 -3.840591287e+00 -4.829572333e+00 -5.104301696e+00 2.80 -3.753345407e+00 -4.766796319e+00 -5.040237143e+00 2.82 -3.666274241e+00 -4.701323079e+00 -4.973066703e+00 2.84 -3.579495411e+00 -4.633221918e+00 -4.903380317e+00 2.86 -3.493087833e+00 -4.562588965e+00 -4.831613691e+00 2.88 -3.407099830e+00 -4.489540435e+00 -4.758177979e+00 2.90 -3.321557392e+00 -4.414207811e+00 -4.683464318e+00 2.92 -3.236471201e+00 -4.336735137e+00 -4.607815206e+00 2.94 -3.151841768e+00 -4.257278374e+00 -4.531503264e+00 2.96 -3.067662755e+00 -4.176006356e+00 -4.454723550e+00 2.98 -2.983922939e+00 -4.093102401e+00 -4.377600161e+00 3.00 -2.900607297e+00 -4.008765049e+00 -4.300202802e+00 3.02 -2.817697595e+00 -3.923206168e+00 -4.222566893e+00 3.04 -2.735172648e+00 -3.836645105e+00 -4.144711781e+00 3.06 -2.653008340e+00 -3.749298847e+00 -4.066654088e+00 3.08 -2.571177456e+00 -3.661370056e+00 -3.988415607e+00 3.10 -2.489649412e+00 -3.573036257e+00 -3.910026593e+00 3.12 -2.408390126e+00 -3.484443603e+00 -3.831525839e+00 3.14 -2.327362314e+00 -3.395707252e+00 -3.752958873e+00 3.16 -2.246526638e+00 -3.306918206e+00 -3.674375307e+00 3.18 -2.165844069e+00 -3.218154649e+00 -3.595826027e+00 3.20 -2.085279793e+00 -3.129494953e+00 -3.517360639e+00 3.22 -2.004808819e+00 -3.041029687e+00 -3.439025358e+00 3.24 -1.924423203e+00 -2.952870614e+00 -3.360861450e+00 3.26 -1.844140548e+00 -2.865155513e+00 -3.282904197e+00 3.28 -1.764013109e+00 -2.778048352e+00 -3.205182375e+00 3.30 -1.684136515e+00 -2.691734985e+00 -3.127718189e+00 3.32 -1.604656866e+00 -2.606415044e+00 -3.050527609e+00 3.34 -1.525774878e+00 -2.522291186e+00 -2.973621073e+00 3.36 -1.447745803e+00 -2.439557092e+00 -2.897004516e+00 3.38 -1.370874249e+00 -2.358385775e+00 -2.820680680e+00 3.40 -1.295503626e+00 -2.278919585e+00 -2.744650610e+00 3.42 -1.222000714e+00 -2.201262954e+00 -2.668915203e+00 3.44 -1.150736661e+00 -2.125478466e+00 -2.593476538e+00 3.46 -1.082066342e+00 -2.051586300e+00 -2.518338689e+00 3.48 -1.016308348e+00 -1.979566704e+00 -2.443507685e+00 3.50 -9.537278071e-01 -1.909364848e+00 -2.368990436e+00 3.52 -8.945237598e-01 -1.840897318e+00 -2.294792768e+00 3.54 -8.388221145e-01 -1.774059528e+00 -2.220917054e+00 3.56 -7.866743594e-01 -1.708733484e+00 -2.147360328e+00 3.58 -7.380614581e-01 -1.644795469e+00 -2.074113822e+00 3.60 -6.929018122e-01 -1.582123406e+00 -2.001164695e+00 3.62 -6.510618928e-01 -1.520603737e+00 -1.928500197e+00 3.64 -6.123681297e-01 -1.460137743e+00 -1.856113988e+00 3.66 -5.766188336e-01 -1.400647168e+00 -1.784013834e+00 3.68 -5.435952210e-01 -1.342079020e+00 -1.712229649e+00 3.70 -5.130709515e-01 -1.284409307e+00 -1.640820799e+00 3.72 -4.848198889e-01 -1.227645420e+00 -1.569881692e+00 3.74 -4.586220504e-01 -1.171826879e+00 -1.499544845e+00 3.76 -4.342678794e-01 -1.117024163e+00 -1.429980896e+00 3.78 -4.115610888e-01 -1.063335514e+00 -1.361395298e+00 3.80 -3.903203705e-01 -1.010881733e+00 -1.294021789e+00 3.82 -3.703802795e-01 -9.597992476e-01 -1.228113051e+00 3.84 -3.515915816e-01 -9.102319202e-01 -1.163929327e+00 3.86 -3.338213128e-01 -8.623222524e-01 -1.101725987e+00 3.88 -3.169527421e-01 -8.162027255e-01 -1.041741178e+00 3.90 -3.008853587e-01 -7.719880101e-01 -9.841846698e-01 3.92 -2.855349180e-01 -7.297686665e-01 -9.292288169e-01 3.94 -2.708334875e-01 -6.896067669e-01 -8.770023004e-01 3.96 -2.567293372e-01 -6.515336372e-01 -8.275869374e-01 3.98 -2.431864494e-01 -6.155496816e-01 -7.810175057e-01 4.00 -2.301833869e-01 -5.816260584e-01 -7.372842261e-01 4.02 -2.177113092e-01 -5.497078348e-01 -6.963373381e-01 4.04 -2.057710521e-01 -5.197181857e-01 -6.580931009e-01 4.06 -1.943693945e-01 -4.915632027e-01 -6.224405486e-01 4.08 -1.835148588e-01 -4.651369233e-01 -5.892483979e-01 4.10 -1.732135714e-01 -4.403262714e-01 -5.583716326e-01 4.12 -1.634657630e-01 -4.170156817e-01 -5.296574237e-01 4.14 -1.542633889e-01 -3.950912480e-01 -5.029501857e-01 4.16 -1.455891344e-01 -3.744442955e-01 -4.780956849e-01 4.18 -1.374167925e-01 -3.549742944e-01 -4.549442066e-01 4.20 -1.297127728e-01 -3.365910412e-01 -4.333528539e-01 4.22 -1.224383636e-01 -3.192160327e-01 -4.131870843e-01 4.24 -1.155523383e-01 -3.027829605e-01 -3.943216098e-01 4.26 -1.090135657e-01 -2.872372867e-01 -3.766407871e-01 4.28 -1.027833721e-01 -2.725349287e-01 -3.600386167e-01 4.30 -9.682750882e-02 -2.586401780e-01 -3.444184534e-01 4.32 -9.111764565e-02 -2.455230953e-01 -3.296925179e-01 4.34 -8.563234995e-02 -2.331567102e-01 -3.157812796e-01 4.36 -8.035752569e-02 -2.215143969e-01 -3.026127651e-01 4.38 -7.528629358e-02 -2.105677557e-01 -2.901218366e-01 4.40 -7.041830757e-02 -2.002852221e-01 -2.782494688e-01 4.42 -6.575854274e-02 -1.906314804e-01 -2.669420473e-01 4.44 -6.131564513e-02 -1.815676074e-01 -2.561507012e-01 4.46 -5.709999451e-02 -1.730517703e-01 -2.458306817e-01 4.48 -5.312170532e-02 -1.650402512e-01 -2.359407907e-01 4.50 -4.938879769e-02 -1.574885774e-01 -2.264428634e-01 4.52 -4.590575488e-02 -1.503525857e-01 -2.173013076e-01 4.54 -4.267260703e-02 -1.435893086e-01 -2.084827029e-01 4.56 -3.968459066e-02 -1.371576353e-01 -1.999554588e-01 4.58 -3.693235859e-02 -1.310187479e-01 -1.916895412e-01 4.60 -3.440240885e-02 -1.251363650e-01 -1.836562682e-01 4.62 -3.207837605e-02 -1.194768438e-01 -1.758281854e-01 4.64 -2.994210336e-02 -1.140091938e-01 -1.681790280e-01 4.66 -2.797427591e-02 -1.087050562e-01 -1.606837816e-01 4.68 -2.615535788e-02 -1.035386923e-01 -1.533188527e-01 4.70 -2.446635853e-02 -9.848701757e-02 -1.460623597e-01 4.72 -2.288941768e-02 -9.352970733e-02 -1.388945505e-01 4.74 -2.140822619e-02 -8.864938761e-02 -1.317983476e-01 4.76 -2.000829638e-02 -8.383191333e-02 -1.247600111e-01 4.78 -1.867706677e-02 -7.906672120e-02 -1.177698910e-01 4.80 -1.740418481e-02 -7.434722759e-02 -1.108232248e-01 4.82 -1.618146750e-02 -6.967122634e-02 -1.039209088e-01 4.84 -1.500286088e-02 -6.504122123e-02 -9.707015061e-02 4.86 -1.386437395e-02 -6.046462086e-02 -9.028489046e-02 4.88 -1.276395682e-02 -5.595371130e-02 -8.358587422e-02 4.90 -1.170131581e-02 -5.152533585e-02 -7.700027080e-02 4.92 -1.067766019e-02 -4.720023673e-02 -7.056076344e-02 4.94 -9.695381941e-03 -4.300204535e-02 -6.430410272e-02 4.96 -8.757679353e-03 -3.895587994e-02 -5.826918750e-02 4.98 -7.868146094e-03 -3.508686329e-02 -5.249481267e-02 5.00 -7.030356281e-03 -3.141878580e-02 -4.701730378e-02 5.02 -6.247480796e-03 -2.797236048e-02 -4.186828790e-02 5.04 -5.521968482e-03 -2.476396172e-02 -3.707283315e-02 5.06 -4.855318186e-03 -2.180475179e-02 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