# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2020--Chen-Y-Liao-X-Gao-N-et-al--W-Mo # implementation = 2020--Chen-Y--W-Mo--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-12-14 r Mo Mo W W Mo W 0.02 1.019101225e+06 3.075950117e+06 1.770647614e+06 0.04 4.209823518e+05 1.244232983e+06 7.238556684e+05 0.06 2.367637134e+05 6.878300994e+05 4.036784337e+05 0.08 1.520322401e+05 4.349788207e+05 2.573047440e+05 0.10 1.052418636e+05 2.968493362e+05 1.769107845e+05 0.12 7.648642584e+04 2.128356072e+05 1.277574230e+05 0.14 5.752639957e+04 1.580147419e+05 9.551376578e+04 0.16 4.438881556e+04 1.204304495e+05 7.328802320e+04 0.18 3.494446143e+04 9.370184852e+04 5.739463931e+04 0.20 2.795977285e+04 7.414696492e+04 4.570260270e+04 0.22 2.267611990e+04 5.951146624e+04 3.690414464e+04 0.24 1.860454726e+04 4.834997176e+04 3.015845982e+04 0.26 1.541784834e+04 3.970116811e+04 2.490452168e+04 0.28 1.289025968e+04 3.290640457e+04 2.075653116e+04 0.30 1.086202425e+04 2.750317689e+04 1.744249992e+04 0.32 9.217671120e+03 2.315992403e+04 1.476662432e+04 0.34 7.872219329e+03 1.963470171e+04 1.258540706e+04 0.36 6.762145249e+03 1.674821008e+04 1.079204408e+04 0.38 5.839313206e+03 1.436574559e+04 9.305952794e+03 0.40 5.066804946e+03 1.238486251e+04 8.065593047e+03 0.42 4.415997676e+03 1.072677966e+04 7.023451236e+03 0.44 3.864481801e+03 9.330296817e+03 6.142476967e+03 0.46 3.394554651e+03 8.147425194e+03 5.393514192e+03 0.48 2.992116262e+03 7.140208052e+03 4.753424874e+03 0.50 2.645850189e+03 6.278380036e+03 4.203702235e+03 0.52 2.346609182e+03 5.537625496e+03 3.729434846e+03 0.54 2.086949978e+03 4.898269721e+03 3.318525201e+03 0.56 1.860777816e+03 4.344286516e+03 2.961094933e+03 0.58 1.663072559e+03 3.862539235e+03 2.649028304e+03 0.60 1.489676054e+03 3.442195739e+03 2.375619084e+03 0.62 1.337125842e+03 3.074274025e+03 2.135295406e+03 0.64 1.202524261e+03 2.751295155e+03 1.923403894e+03 0.66 1.083434721e+03 2.467001909e+03 1.736039190e+03 0.68 9.777990482e+02 2.216114868e+03 1.569908489e+03 0.70 8.838712188e+02 1.994170432e+03 1.422223257e+03 0.72 8.001639497e+02 1.797379268e+03 1.290612189e+03 0.74 7.254054297e+02 1.622511835e+03 1.173050850e+03 0.76 6.585040853e+02 1.466805533e+03 1.067804513e+03 0.78 5.985197533e+02 1.327888990e+03 9.733814792e+02 0.80 5.446399853e+02 1.203720018e+03 8.884947719e+02 0.82 4.961604830e+02 1.092534523e+03 8.120305652e+02 0.84 4.524688749e+02 9.928042423e+02 7.430220341e+02 0.86 4.130312081e+02 9.032016202e+02 6.806276086e+02 0.88 3.773806543e+02 8.225705061e+02 6.241155443e+02 0.90 3.451080320e+02 7.499015979e+02 5.728618698e+02 0.92 3.158538215e+02 6.843117898e+02 5.263061523e+02 0.94 2.893014150e+02 6.250267354e+02 4.839525826e+02 0.96 2.651713890e+02 5.713660754e+02 4.453643945e+02 0.98 2.432166296e+02 5.227308807e+02 4.101560557e+02 1.00 2.231954403e+02 4.785430655e+02 3.779535028e+02 1.02 1.975623076e+02 4.223152870e+02 3.377817768e+02 1.04 1.748615383e+02 3.728280340e+02 3.020877790e+02 1.06 1.547649788e+02 3.292764386e+02 2.703627960e+02 1.08 1.369642242e+02 2.909159338e+02 2.421323512e+02 1.10 1.211881508e+02 2.570977742e+02 2.169808325e+02 1.12 1.071983680e+02 2.272565791e+02 1.945441043e+02 1.14 9.478522667e+01 2.008995006e+02 1.745030487e+02 1.16 8.376431546e+01 1.775968049e+02 1.565779198e+02 1.18 7.397338616e+01 1.569736827e+02 1.405234099e+02 1.20 6.526965522e+01 1.387031265e+02 1.261243363e+02 1.22 5.752743551e+01 1.224997390e+02 1.131918710e+02 1.24 5.063605784e+01 1.081143466e+02 1.015602456e+02 1.26 4.449804690e+01 9.532931664e+01 9.108387060e+01 1.28 3.902752020e+01 8.395448360e+01 8.163481743e+01 1.30 3.414878285e+01 7.382360638e+01 7.310061667e+01 1.32 2.979509412e+01 6.479128621e+01 6.538233340e+01 1.34 2.590758460e+01 5.673028537e+01 5.839288412e+01 1.36 2.243430567e+01 4.952919426e+01 5.205556499e+01 1.38 1.932939488e+01 4.309040125e+01 4.630276458e+01 1.40 1.655234307e+01 3.732832570e+01 4.107483793e+01 1.42 1.406735088e+01 3.216787985e+01 3.631912155e+01 1.44 1.184276344e+01 2.754312966e+01 3.198907154e+01 1.46 9.850573871e+00 2.339612861e+01 2.804350930e+01 1.48 8.065987141e+00 1.967590197e+01 2.444596136e+01 1.50 6.467036746e+00 1.633756182e+01 2.116408136e+01 1.52 5.034247926e+00 1.334153591e+01 1.816914390e+01 1.54 3.750341624e+00 1.065289552e+01 1.543560118e+01 1.56 2.599974261e+00 8.240769360e+00 1.294069462e+01 1.58 1.569508935e+00 6.077832497e+00 1.066411440e+01 1.60 6.468142298e-01 4.139860414e+00 8.587701069e+00 1.62 -1.789127316e-01 2.405339905e+00 6.695183844e+00 1.64 -9.173019234e-01 8.551293630e-01 4.971951010e+00 1.66 -1.576947337e+00 -5.278378713e-01 3.404848446e+00 1.68 -2.165527441e+00 -1.758812673e+00 1.982002714e+00 1.70 -2.689911170e+00 -2.851456617e+00 6.926656590e-01 1.72 -3.156251189e+00 -3.818039987e+00 -4.729221649e-01 1.74 -3.570065944e+00 -4.669614938e+00 -1.523651606e+00 1.76 -3.936311868e+00 -5.416166997e+00 -2.467650601e+00 1.78 -4.259446888e+00 -6.066747631e+00 -3.312377237e+00 1.80 -4.543486288e+00 -6.629590276e+00 -4.064701765e+00 1.82 -4.792051817e+00 -7.112211895e+00 -4.730978920e+00 1.84 -5.008414847e+00 -7.521501837e+00 -5.317111759e+00 1.86 -5.195534271e+00 -7.863799550e+00 -5.828608046e+00 1.88 -5.356089759e+00 -8.144962457e+00 -6.270630091e+00 1.90 -5.492510906e+00 -8.370425135e+00 -6.648038833e+00 1.92 -5.607002736e+00 -8.545250736e+00 -6.965432818e+00 1.94 -5.701567998e+00 -8.674175463e+00 -7.227182662e+00 1.96 -5.778026589e+00 -8.761646743e+00 -7.437461461e+00 1.98 -5.838032451e+00 -8.811855646e+00 -7.600271531e+00 2.00 -5.882895257e+00 -8.828467849e+00 -7.719228832e+00 2.02 -5.876225951e+00 -8.757085460e+00 -7.751244394e+00 2.04 -5.865106227e+00 -8.671376262e+00 -7.756632505e+00 2.06 -5.850050700e+00 -8.573751579e+00 -7.738142555e+00 2.08 -5.831353163e+00 -8.466300877e+00 -7.698310267e+00 2.10 -5.809276802e+00 -8.351074664e+00 -7.639692023e+00 2.12 -5.784051421e+00 -8.230069034e+00 -7.564858297e+00 2.14 -5.755870463e+00 -8.105207560e+00 -7.476384467e+00 2.16 -5.724887758e+00 -7.978320545e+00 -7.376838387e+00 2.18 -5.691213952e+00 -7.851121715e+00 -7.268764162e+00 2.20 -5.654912560e+00 -7.725182689e+00 -7.154661519e+00 2.22 -5.615995513e+00 -7.601905743e+00 -7.036960350e+00 2.24 -5.574418082e+00 -7.482495611e+00 -6.917990138e+00 2.26 -5.530072984e+00 -7.367931263e+00 -6.799944385e+00 2.28 -5.482783421e+00 -7.258938730e+00 -6.684840586e+00 2.30 -5.432294705e+00 -7.155966033e+00 -6.574476909e+00 2.32 -5.378263991e+00 -7.059161136e+00 -6.470387369e+00 2.34 -5.320247471e+00 -6.968353474e+00 -6.373797910e+00 2.36 -5.257684098e+00 -6.883039023e+00 -6.285586203e+00 2.38 -5.189874529e+00 -6.802368109e+00 -6.206248070e+00 2.40 -5.115953369e+00 -6.725134135e+00 -6.135872562e+00 2.42 -5.035334644e+00 -6.650237828e+00 -6.074068103e+00 2.44 -4.949411481e+00 -6.578282774e+00 -6.019876527e+00 2.46 -4.860664045e+00 -6.510449154e+00 -5.971899415e+00 2.48 -4.772373234e+00 -6.448059592e+00 -5.928332188e+00 2.50 -4.688727222e+00 -6.392571617e+00 -5.886971105e+00 2.52 -4.613863102e+00 -6.344998652e+00 -5.845355095e+00 2.54 -4.548410501e+00 -6.304115774e+00 -5.801997345e+00 2.56 -4.491721445e+00 -6.267986824e+00 -5.755765458e+00 2.58 -4.442744626e+00 -6.234506038e+00 -5.705523874e+00 2.60 -4.400021493e+00 -6.201403254e+00 -5.650142328e+00 2.62 -4.361943423e+00 -6.166747111e+00 -5.589199645e+00 2.64 -4.327509428e+00 -6.130439918e+00 -5.523631204e+00 2.66 -4.295640448e+00 -6.092746385e+00 -5.454537951e+00 2.68 -4.264980698e+00 -6.053811456e+00 -5.383014659e+00 2.70 -4.233935079e+00 -6.013671052e+00 -5.310145797e+00 2.72 -4.201105319e+00 -5.972323744e+00 -5.236796567e+00 2.74 -4.166605738e+00 -5.929956397e+00 -5.163477853e+00 2.76 -4.130944847e+00 -5.886805275e+00 -5.090657304e+00 2.78 -4.094629183e+00 -5.843099474e+00 -5.018792496e+00 2.80 -4.058163171e+00 -5.799060858e+00 -4.948328948e+00 2.82 -4.021908733e+00 -5.754854824e+00 -4.879555304e+00 2.84 -3.985664424e+00 -5.710442752e+00 -4.812392250e+00 2.86 -3.949085895e+00 -5.665729353e+00 -4.746688008e+00 2.88 -3.911825899e+00 -5.620611662e+00 -4.682276650e+00 2.90 -3.873534034e+00 -5.574978843e+00 -4.618977236e+00 2.92 -3.833856440e+00 -5.528711953e+00 -4.556593149e+00 2.94 -3.792435458e+00 -5.481683646e+00 -4.494911363e+00 2.96 -3.748909236e+00 -5.433757789e+00 -4.433701732e+00 2.98 -3.702911289e+00 -5.384788944e+00 -4.372716363e+00 3.00 -3.654069981e+00 -5.334621793e+00 -4.311688567e+00 3.02 -3.602100815e+00 -5.283105151e+00 -4.250361633e+00 3.04 -3.547087719e+00 -5.230139114e+00 -4.188579694e+00 3.06 -3.489209979e+00 -5.175637057e+00 -4.126192407e+00 3.08 -3.428650554e+00 -5.119511828e+00 -4.063028036e+00 3.10 -3.365596544e+00 -5.061675740e+00 -3.998892401e+00 3.12 -3.300239739e+00 -5.002040506e+00 -3.933614094e+00 3.14 -3.232777226e+00 -4.940517120e+00 -3.867191143e+00 3.16 -3.163412087e+00 -4.877015874e+00 -3.799665974e+00 3.18 -3.092354191e+00 -4.811446333e+00 -3.731081045e+00 3.20 -3.019821091e+00 -4.743717199e+00 -3.661480177e+00 3.22 -2.946039817e+00 -4.673774114e+00 -3.590957189e+00 3.24 -2.871250367e+00 -4.601713504e+00 -3.519671335e+00 3.26 -2.795704660e+00 -4.527668708e+00 -3.447786471e+00 3.28 -2.719667199e+00 -4.451771735e+00 -3.375466776e+00 3.30 -2.643416681e+00 -4.374153205e+00 -3.302876167e+00 3.32 -2.567221422e+00 -4.294952504e+00 -3.230178344e+00 3.34 -2.491256217e+00 -4.214349357e+00 -3.157532754e+00 3.36 -2.415672268e+00 -4.132535773e+00 -3.085096566e+00 3.38 -2.340621456e+00 -4.049706945e+00 -3.013027498e+00 3.40 -2.266256428e+00 -3.966061760e+00 -2.941482713e+00 3.42 -2.192713453e+00 -3.881785968e+00 -2.870583803e+00 3.44 -2.120056042e+00 -3.797003296e+00 -2.800391352e+00 3.46 -2.048328261e+00 -3.711826303e+00 -2.730955143e+00 3.48 -1.977580334e+00 -3.626372409e+00 -2.662328108e+00 3.50 -1.907860308e+00 -3.540765321e+00 -2.594559148e+00 3.52 -1.839220727e+00 -3.455136673e+00 -2.527701592e+00 3.54 -1.771717825e+00 -3.369624561e+00 -2.461803482e+00 3.56 -1.705406713e+00 -3.284376984e+00 -2.396917916e+00 3.58 -1.640351456e+00 -3.199552184e+00 -2.333093265e+00 3.60 -1.576616439e+00 -3.115317878e+00 -2.270379084e+00 3.62 -1.514258371e+00 -3.031848953e+00 -2.208811852e+00 3.64 -1.453346040e+00 -2.949294520e+00 -2.148393567e+00 3.66 -1.393885401e+00 -2.867816123e+00 -2.089136268e+00 3.68 -1.335968114e+00 -2.787587199e+00 -2.031040872e+00 3.70 -1.279653780e+00 -2.708807860e+00 -1.974107242e+00 3.72 -1.224913084e+00 -2.631653237e+00 -1.918342714e+00 3.74 -1.171884706e+00 -2.556170835e+00 -1.863723823e+00 3.76 -1.120635761e+00 -2.482355923e+00 -1.810229448e+00 3.78 -1.069930380e+00 -2.410222407e+00 -1.757858971e+00 3.80 -1.020663579e+00 -2.339762820e+00 -1.706595839e+00 3.82 -9.741706891e-01 -2.270979422e+00 -1.656386457e+00 3.84 -9.312813585e-01 -2.203870480e+00 -1.607219381e+00 3.86 -8.927673443e-01 -2.138395682e+00 -1.559092840e+00 3.88 -8.589206204e-01 -2.074553460e+00 -1.511942593e+00 3.90 -8.266979846e-01 -2.012338284e+00 -1.465671410e+00 3.92 -7.939823577e-01 -1.951682140e+00 -1.420298466e+00 3.94 -7.596792997e-01 -1.892584664e+00 -1.375845751e+00 3.96 -7.233935004e-01 -1.835064290e+00 -1.332309087e+00 3.98 -6.851781122e-01 -1.779026211e+00 -1.288647235e+00 4.00 -6.453444116e-01 -1.724386875e+00 -1.245055332e+00 4.02 -6.041911951e-01 -1.671190197e+00 -1.202391077e+00 4.04 -5.622457160e-01 -1.619469701e+00 -1.161335923e+00 4.06 -5.206847412e-01 -1.568976358e+00 -1.122407864e+00 4.08 -4.802552080e-01 -1.518430146e+00 -1.086030417e+00 4.10 -4.413348576e-01 -1.468691439e+00 -1.053359266e+00 4.12 -4.040974090e-01 -1.420694115e+00 -1.022646223e+00 4.14 -3.688022813e-01 -1.375133581e+00 -9.916241303e-01 4.16 -3.356581194e-01 -1.332487140e+00 -9.586687849e-01 4.18 -3.047825929e-01 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