# 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 = Pb3Ta # 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 5.733881285e+02 nan nan 1.16 5.334871756e+02 nan nan 1.18 4.965949640e+02 nan nan 1.20 4.624558200e+02 nan nan 1.22 4.308342437e+02 nan nan 1.24 4.015158206e+02 nan nan 1.26 3.743075749e+02 nan nan 1.28 3.490356296e+02 5.075989757e+02 5.709471435e+02 1.30 3.255416428e+02 4.753806745e+02 5.352876460e+02 1.32 3.036804749e+02 4.453601691e+02 5.020277496e+02 1.34 2.833198867e+02 4.173667444e+02 4.709825780e+02 1.36 2.643410950e+02 3.912392168e+02 4.419795228e+02 1.38 2.466391312e+02 3.668281127e+02 4.148604879e+02 1.40 2.301222487e+02 3.439978581e+02 3.894840544e+02 1.42 2.147099870e+02 3.226275579e+02 3.657260003e+02 1.44 2.003298942e+02 3.026105013e+02 3.434775790e+02 1.46 1.869139673e+02 2.838529915e+02 3.226417143e+02 1.48 1.743961091e+02 2.662726896e+02 3.031283534e+02 1.50 1.627113773e+02 2.497963134e+02 2.848506873e+02 1.52 1.517968307e+02 2.343567232e+02 2.677235427e+02 1.54 1.415929537e+02 2.198901026e+02 2.516640272e+02 1.56 1.320448567e+02 2.063341340e+02 2.365932535e+02 1.58 1.231028286e+02 1.936275869e+02 2.224379814e+02 1.60 1.147223874e+02 1.817110127e+02 2.091315123e+02 1.62 1.068641290e+02 1.705278814e+02 1.966137969e+02 1.64 9.949443934e+01 1.600255072e+02 1.848311292e+02 1.66 9.258701346e+01 1.501555009e+02 1.737356738e+02 1.68 8.611472824e+01 1.408737490e+02 1.632848566e+02 1.70 8.006402351e+01 1.321400497e+02 1.534405618e+02 1.72 7.442169743e+01 1.239176307e+02 1.441680453e+02 1.74 6.916075497e+01 1.161726641e+02 1.354347778e+02 1.76 6.425480721e+01 1.088738886e+02 1.272094796e+02 1.78 5.967855099e+01 1.019926111e+02 1.194616403e+02 1.80 5.540821828e+01 9.550541046e+01 1.121614904e+02 1.82 5.142182536e+01 8.938786624e+01 1.052803158e+02 1.84 4.769920270e+01 8.361799590e+01 9.879180419e+01 1.86 4.422187548e+01 7.818408514e+01 9.267406541e+01 1.88 4.097289126e+01 7.307380952e+01 8.690349306e+01 1.90 3.793665062e+01 6.826774664e+01 8.146158172e+01 1.92 3.509875776e+01 6.374828578e+01 7.634106629e+01 1.94 3.244590741e+01 5.949954614e+01 7.152279774e+01 1.96 2.996580392e+01 5.550713011e+01 6.698768994e+01 1.98 2.764710013e+01 5.175781985e+01 6.271793144e+01 2.00 2.547934180e+01 4.823923711e+01 5.869686247e+01 2.02 2.345292337e+01 4.493950432e+01 5.490892389e+01 2.04 2.155903150e+01 4.184695425e+01 5.133963779e+01 2.06 1.978960303e+01 3.894995348e+01 4.797560378e+01 2.08 1.813725954e+01 3.623687814e+01 4.480448246e+01 2.10 1.659521938e+01 3.369622586e+01 4.181498884e+01 2.12 1.515718001e+01 3.131680938e+01 3.899687372e+01 2.14 1.381718253e+01 2.908795860e+01 3.634088502e+01 2.16 1.256948754e+01 2.699966587e+01 3.383868646e+01 2.18 1.140847462e+01 2.504265627e+01 3.148271950e+01 2.20 1.032861020e+01 2.320837756e+01 2.926602168e+01 2.22 9.324458889e+00 2.148895118e+01 2.718200762e+01 2.24 8.390742840e+00 1.987709649e+01 2.522427962e+01 2.26 7.522417730e+00 1.836605098e+01 2.338648162e+01 2.28 6.714759735e+00 1.694949630e+01 2.166223502e+01 2.30 5.963501151e+00 1.562149016e+01 2.004513999e+01 2.32 5.264533135e+00 1.437641822e+01 1.852884428e+01 2.34 4.614098676e+00 1.320895911e+01 1.710713465e+01 2.36 4.008816476e+00 1.211407355e+01 1.577403141e+01 2.38 3.445634125e+00 1.108700803e+01 1.452386742e+01 2.40 2.921771390e+00 1.012330857e+01 1.335133888e+01 2.42 2.434674840e+00 9.218836969e+00 1.225153005e+01 2.44 1.982048256e+00 8.369777533e+00 1.121991129e+01 2.46 1.561922449e+00 7.572636045e+00 1.025231802e+01 2.48 1.172441799e+00 6.824244244e+00 9.344916872e+00 2.50 8.118289667e-01 6.121790129e+00 8.494168549e+00 2.52 4.783881464e-01 5.462531965e+00 7.696784555e+00 2.54 1.705049406e-01 4.843945874e+00 6.949693098e+00 2.56 -1.133570325e-01 4.263723947e+00 6.250006984e+00 2.58 -3.746604657e-01 3.719738189e+00 5.594998055e+00 2.60 -6.148018098e-01 3.210009878e+00 4.982124219e+00 2.62 -8.351147941e-01 2.732684846e+00 4.408969110e+00 2.64 -1.036875989e+00 2.286013259e+00 3.873073680e+00 2.66 -1.221305103e+00 1.868415517e+00 3.372084658e+00 2.68 -1.389563671e+00 1.478481640e+00 2.903753031e+00 2.70 -1.542751108e+00 1.114837662e+00 2.465933582e+00 2.72 -1.681900105e+00 7.761404560e-01 2.056588805e+00 2.74 -1.807972906e+00 4.610837229e-01 1.673796774e+00 2.76 -1.921859673e+00 1.684036275e-01 1.315842269e+00 2.78 -2.024379083e+00 -1.031162519e-01 9.813185353e-01 2.80 -2.116282269e+00 -3.546414963e-01 6.689092223e-01 2.82 -2.198255785e+00 -5.872840821e-01 3.773613465e-01 2.84 -2.270927953e+00 -8.021017944e-01 1.054939141e-01 2.86 -2.334873699e+00 -1.000098618e+00 -1.477983645e-01 2.88 -2.390622091e+00 -1.182226251e+00 -3.835459146e-01 2.90 -2.438658729e+00 -1.349386347e+00 -6.027086020e-01 2.92 -2.479432000e+00 -1.502433164e+00 -8.061821048e-01 2.94 -2.513362710e+00 -1.642176326e+00 -9.948051041e-01 2.96 -2.540840589e+00 -1.769383511e+00 -1.169364705e+00 2.98 -2.562234396e+00 -1.884782911e+00 -1.330610075e+00 3.00 -2.577893806e+00 -1.989065408e+00 -1.479246751e+00 3.02 -2.588151863e+00 -2.082886417e+00 -1.615949197e+00 3.04 -2.593326226e+00 -2.166866377e+00 -1.741362061e+00 3.06 -2.593719177e+00 -2.241596575e+00 -1.856102356e+00 3.08 -2.589616611e+00 -2.307633366e+00 -1.960760464e+00 3.10 -2.581286442e+00 -2.365504736e+00 -2.055900144e+00 3.12 -2.568977064e+00 -2.415709605e+00 -2.142057858e+00 3.14 -2.552916410e+00 -2.458725283e+00 -2.219741820e+00 3.16 -2.533409452e+00 -2.495001471e+00 -2.289431179e+00 3.18 -2.510638666e+00 -2.524968105e+00 -2.351575597e+00 3.20 -2.484631680e+00 -2.549035072e+00 -2.406595195e+00 3.22 -2.455429378e+00 -2.567592784e+00 -2.454882240e+00 3.24 -2.423088465e+00 -2.581012375e+00 -2.496801018e+00 3.26 -2.387685242e+00 -2.589646061e+00 -2.532690678e+00 3.28 -2.349319787e+00 -2.593828138e+00 -2.562867173e+00 3.30 -2.308096075e+00 -2.593876725e+00 -2.587625787e+00 3.32 -2.264094930e+00 -2.590104862e+00 -2.607243871e+00 3.34 -2.217439095e+00 -2.582853347e+00 -2.621983708e+00 3.36 -2.168309204e+00 -2.572337966e+00 -2.632095403e+00 3.38 -2.116941538e+00 -2.558763941e+00 -2.637819693e+00 3.40 -2.063629958e+00 -2.542348264e+00 -2.639390554e+00 3.42 -2.008718703e+00 -2.523314109e+00 -2.637037444e+00 3.44 -1.952598321e+00 -2.501881047e+00 -2.630986982e+00 3.46 -1.895683197e+00 -2.478273131e+00 -2.621463820e+00 3.48 -1.838400893e+00 -2.452709611e+00 -2.608690473e+00 3.50 -1.781171319e+00 -2.425289946e+00 -2.592883878e+00 3.52 -1.724393048e+00 -2.396100927e+00 -2.574265661e+00 3.54 -1.668421965e+00 -2.365220593e+00 -2.553137575e+00 3.56 -1.613564352e+00 -2.332716481e+00 -2.529642776e+00 3.58 -1.560069084e+00 -2.298646034e+00 -2.503848611e+00 3.60 -1.508125613e+00 -2.263058793e+00 -2.475819584e+00 3.62 -1.457866030e+00 -2.225996757e+00 -2.445615167e+00 3.64 -1.409370252e+00 -2.187477448e+00 -2.413290127e+00 3.66 -1.362673213e+00 -2.147512948e+00 -2.378897325e+00 3.68 -1.317773028e+00 -2.106129749e+00 -2.342490112e+00 3.70 -1.274639220e+00 -2.063373914e+00 -2.304096908e+00 3.72 -1.233220389e+00 -2.019315699e+00 -2.263738516e+00 3.74 -1.193450926e+00 -1.974053083e+00 -2.221466313e+00 3.76 -1.155256588e+00 -1.927713726e+00 -2.177368544e+00 3.78 -1.118558909e+00 -1.880455015e+00 -2.131574219e+00 3.80 -1.083278530e+00 -1.832462049e+00 -2.084254544e+00 3.82 -1.049337595e+00 -1.783943583e+00 -2.035621431e+00 3.84 -1.016661354e+00 -1.735126184e+00 -1.985922903e+00 3.86 -9.851791694e-01 -1.686247001e+00 -1.935435595e+00 3.88 -9.548250390e-01 -1.637545694e+00 -1.884454890e+00 3.90 -9.255377866e-01 -1.589256157e+00 -1.833283545e+00 3.92 -8.972600536e-01 -1.541597548e+00 -1.782218548e+00 3.94 -8.699420970e-01 -1.494772056e+00 -1.731545342e+00 3.96 -8.435351725e-01 -1.448952272e+00 -1.681519593e+00 3.98 -8.179956141e-01 -1.404282659e+00 -1.632365740e+00 4.00 -7.932832793e-01 -1.360876454e+00 -1.584270618e+00 4.02 -7.693611728e-01 -1.318815673e+00 -1.537381325e+00 4.04 -7.461950863e-01 -1.278152630e+00 -1.491805531e+00 4.06 -7.237532621e-01 -1.238912623e+00 -1.447613799e+00 4.08 -7.020060872e-01 -1.201097392e+00 -1.404843384e+00 4.10 -6.809258202e-01 -1.164685444e+00 -1.363502987e+00 4.12 -6.604863511e-01 -1.129650796e+00 -1.323577950e+00 4.14 -6.406629951e-01 -1.095943499e+00 -1.285035491e+00 4.16 -6.214323186e-01 -1.063509381e+00 -1.247829687e+00 4.18 -6.027719967e-01 -1.032288748e+00 -1.211905970e+00 4.20 -5.846581686e-01 -1.002218904e+00 -1.177205021e+00 4.22 -5.670759191e-01 -9.732362122e-01 -1.143665998e+00 4.24 -5.500026052e-01 -9.452777138e-01 -1.111229050e+00 4.26 -5.334194533e-01 -9.182823596e-01 -1.079837160e+00 4.28 -5.173084487e-01 -8.921919088e-01 -1.049437325e+00 4.30 -5.016523145e-01 -8.669515511e-01 -1.019981154e+00 4.32 -4.864344932e-01 -8.425103005e-01 -9.914249605e-01 4.34 -4.716391299e-01 -8.188212059e-01 -9.637294711e-01 4.36 -4.572503611e-01 -7.958414124e-01 -9.368592618e-01 4.38 -4.432551667e-01 -7.735321059e-01 -9.107820663e-01 4.40 -4.296388129e-01 -7.518583646e-01 -8.854680685e-01 4.42 -4.163879711e-01 -7.307889391e-01 -8.608892788e-01 4.44 -4.034898277e-01 -7.102959806e-01 -8.370190536e-01 4.46 -3.909320220e-01 -6.903547320e-01 -8.138317823e-01 4.48 -3.787025789e-01 -6.709431986e-01 -7.913027323e-01 4.50 -3.667898417e-01 -6.520418101e-01 -7.694080207e-01 4.52 -3.551824073e-01 -6.336330860e-01 -7.481202457e-01 4.54 -3.438690682e-01 -6.157013144e-01 -7.274269960e-01 4.56 -3.328387660e-01 -5.982322512e-01 -7.073020964e-01 4.58 -3.220805599e-01 -5.812128448e-01 -6.877258289e-01 4.60 -3.115836141e-01 -5.646309915e-01 -6.686796648e-01 4.62 -3.013372073e-01 -5.484753208e-01 -6.501462590e-01 4.64 -2.913307675e-01 -5.327350129e-01 -6.321094084e-01 4.66 -2.815539344e-01 -5.173996459e-01 -6.145539811e-01 4.68 -2.719966515e-01 -5.024590712e-01 -5.974658264e-01 4.70 -2.626492880e-01 -4.879033137e-01 -5.808316741e-01 4.72 -2.535027916e-01 -4.737224954e-01 -5.646390317e-01 4.74 -2.445488673e-01 -4.599067779e-01 -5.488760836e-01 4.76 -2.357801795e-01 -4.464463220e-01 -5.335315984e-01 4.78 -2.271905679e-01 -4.333312618e-01 -5.185948453e-01 4.80 -2.187752646e-01 -4.205494995e-01 -5.040555217e-01 4.82 -2.105310981e-01 -4.080958183e-01 -4.899036909e-01 4.84 -2.024566623e-01 -3.959576422e-01 -4.761297304e-01 4.86 -1.945524289e-01 -3.841249826e-01 -4.627242897e-01 4.88 -1.868207799e-01 -3.725878600e-01 -4.496782558e-01 4.90 -1.792659376e-01 -3.613363419e-01 -4.369827258e-01 4.92 -1.718937779e-01 -3.503605904e-01 -4.246289854e-01 4.94 -1.647115191e-01 -3.396509209e-01 -4.126084913e-01 4.96 -1.577272922e-01 -3.291978733e-01 -4.009128585e-01 4.98 -1.509496144e-01 -3.189922949e-01 -3.895338493e-01 5.00 -1.443867999e-01 -3.090254363e-01 -3.784633648e-01 5.02 -1.380463529e-01 -2.992890584e-01 -3.676934382e-01 5.04 -1.319343962e-01 -2.897755493e-01 -3.572162291e-01 5.06 -1.260551848e-01 -2.804780481e-01 -3.470240177e-01 5.08 -1.204107472e-01 -2.713905693e-01 -3.371092011e-01 5.10 -1.150006825e-01 -2.625081222e-01 -3.274642879e-01 5.12 -1.098221219e-01 -2.538268155e-01 -3.180818940e-01 5.14 -1.048698569e-01 -2.453439369e-01 -3.089547381e-01 5.16 -1.001366021e-01 -2.370579963e-01 -3.000756365e-01 5.18 -9.561336644e-02 -2.289687207e-01 -2.914374982e-01 5.20 -9.128989249e-02 -2.210769919e-01 -2.830333191e-01 5.22 -8.715512751e-02 -2.133847186e-01 -2.748561762e-01 5.24 -8.319769155e-02 -2.058946430e-01 -2.668992216e-01 5.26 -7.940631494e-02 -1.986100838e-01 -2.591556753e-01 5.28 -7.577022121e-02 -1.915346289e-01 -2.516188189e-01 5.30 -7.227944406e-02 -1.846717932e-01 -2.442819877e-01 5.32 -6.892506869e-02 -1.780246654e-01 -2.371385635e-01 5.34 -6.569939209e-02 -1.715955696e-01 -2.301819668e-01 5.36 -6.259600203e-02 -1.653857653e-01 -2.234056489e-01 5.38 -5.960978053e-02 -1.593952098e-01 -2.168030842e-01 5.40 -5.673683412e-02 -1.536223963e-01 -2.103677624e-01 5.42 -5.397436081e-02 -1.480642781e-01 -2.040931814e-01 5.44 -5.132046434e-02 -1.427162757e-01 -1.979728404e-01 5.46 -4.877393215e-02 -1.375723616e-01 -1.920002345e-01 5.48 -4.633398971e-02 -1.326252049e-01 -1.861688494e-01 5.50 -4.400004795e-02 -1.278663637e-01 -1.804721587e-01 5.52 -4.177146478e-02 -1.232865033e-01 -1.749036230e-01 5.54 -3.964733444e-02 -1.188756252e-01 -1.694555113e-01 5.56 -3.762631725e-02 -1.146232900e-01 -1.641237903e-01 5.58 -3.570650460e-02 -1.105188262e-01 -1.589005359e-01 5.60 -3.388523860e-02 -1.065515160e-01 -1.537792111e-01 5.62 -3.215926283e-02 -1.027107560e-01 -1.487533131e-01 5.64 -3.052480422e-02 -9.898619102e-02 -1.438163991e-01 5.66 -2.897763031e-02 -9.536782430e-02 -1.389621200e-01 5.68 -2.751303293e-02 -9.184610546e-02 -1.341842621e-01 5.70 -2.612594850e-02 -8.841200278e-02 -1.294767996e-01 5.72 -2.481108598e-02 -8.505706304e-02 -1.248339560e-01 5.74 -2.356305423e-02 -8.177346329e-02 -1.202502776e-01 5.76 -2.237648237e-02 -7.855405865e-02 -1.157207180e-01 5.78 -2.124612860e-02 -7.539242933e-02 -1.112407339e-01 5.80 -2.016697510e-02 -7.228292678e-02 -1.068063880e-01 5.82 -1.913430783e-02 -6.922072334e-02 -1.024144637e-01 5.84 -1.814378113e-02 -6.620186353e-02 -9.806258323e-02 5.86 -1.719146789e-02 -6.322331514e-02 -9.374932758e-02 5.88 -1.627389626e-02 -6.028301790e-02 -8.947435129e-02 5.90 -1.538807378e-02 -5.737992613e-02 -8.523848691e-02 5.92 -1.453149988e-02 -5.451404037e-02 -8.104383079e-02 5.94 -1.370216730e-02 -5.168641114e-02 -7.689380218e-02 5.96 -1.289855278e-02 -4.889890121e-02 -7.279316801e-02 5.98 -1.211959716e-02 -4.615460962e-02 -6.874801892e-02 6.00 -1.136467516e-02 -4.345771127e-02 -6.476569863e-02