# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Chen-Y-Liao-X-Gao-N-et-al--W-Mo # implementation = 2020--Chen-Y--W-Mo--LAMMPS--ipr1 # composition = Mo # 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 2022-12-14 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 3.962176692e+03 nan 0.70 nan nan nan nan nan nan nan nan 3.473859528e+03 nan 0.72 nan nan nan nan nan nan nan nan 3.056586538e+03 nan 0.74 nan nan nan nan nan 2.346004287e+03 nan nan 2.698672998e+03 nan 0.76 nan nan nan nan nan 2.084701834e+03 nan nan 2.391134332e+03 nan 0.78 nan nan nan nan nan 1.858596143e+03 nan nan 2.125587897e+03 nan 0.80 nan nan nan nan nan 1.661934292e+03 nan nan 1.895265305e+03 nan 0.82 nan nan nan nan nan 1.490009928e+03 nan nan 1.689481855e+03 nan 0.84 nan nan nan 3.728389937e+03 3.727951190e+03 1.338658424e+03 nan nan 1.501969607e+03 2.276434218e+03 0.86 nan 2.046260570e+03 nan 3.374225938e+03 3.374678776e+03 1.205062662e+03 2.072867088e+03 nan 1.338642324e+03 2.044230215e+03 0.88 nan 1.834830930e+03 nan 3.059830940e+03 3.060947438e+03 1.087279107e+03 1.860817666e+03 nan 1.195903914e+03 1.840484080e+03 0.90 nan 1.641346176e+03 nan 2.780031078e+03 2.781384869e+03 9.834633719e+02 1.674936056e+03 nan 1.070584640e+03 1.661443460e+03 0.92 nan 1.454025725e+03 nan 2.530326679e+03 2.531475996e+03 8.916843765e+02 1.511386784e+03 nan 9.603866350e+02 1.503649248e+03 0.94 nan 1.290611872e+03 nan 2.306509179e+03 2.307276406e+03 8.102539506e+02 1.367033758e+03 nan 8.632130100e+02 1.363274911e+03 0.96 2.105476145e+03 1.147977503e+03 1.818904896e+03 2.105843688e+03 2.106121450e+03 7.374914638e+02 1.231958041e+03 1.934491342e+03 7.774391239e+02 1.237883091e+03 0.98 1.925745431e+03 1.023281834e+03 1.650025240e+03 1.925877366e+03 1.925695347e+03 6.721129676e+02 1.111275667e+03 1.753619122e+03 7.016281406e+02 1.125486626e+03 1.00 1.764403669e+03 9.138373134e+02 1.499418846e+03 1.764154105e+03 1.763596688e+03 6.132331718e+02 1.003892008e+03 1.577867115e+03 6.343748805e+02 1.024409889e+03 1.02 1.575407726e+03 8.119748981e+02 1.336076768e+03 1.574637735e+03 1.573710742e+03 5.454961945e+02 8.935458683e+02 1.407281752e+03 5.634408667e+02 9.117235973e+02 1.04 1.408215770e+03 7.220632985e+02 1.192535431e+03 1.407124858e+03 1.406032389e+03 4.857502715e+02 7.962843095e+02 1.256375226e+03 5.009832016e+02 8.123460951e+02 1.06 1.259979573e+03 6.425553790e+02 1.066823217e+03 1.259026240e+03 1.258154183e+03 4.334144336e+02 7.105009526e+02 1.122683372e+03 4.459579300e+02 7.247445829e+02 1.08 1.128185410e+03 5.725583785e+02 9.558055339e+02 1.127627437e+03 1.127162661e+03 3.872601266e+02 6.345271402e+02 1.004112728e+03 3.974125140e+02 6.474375769e+02 1.10 1.010902621e+03 5.109913180e+02 8.572860018e+02 1.010846679e+03 1.010857759e+03 3.464261091e+02 5.671007298e+02 8.989568275e+02 3.545346061e+02 5.790347665e+02 1.12 9.066801215e+02 4.569265830e+02 7.696522868e+02 9.071060611e+02 9.075592238e+02 3.102337510e+02 5.071589151e+02 8.059861282e+02 3.166909950e+02 5.184588922e+02 1.14 8.142711136e+02 4.094570524e+02 6.915783747e+02 8.150317982e+02 8.157933501e+02 2.780930299e+02 4.538890295e+02 7.237811732e+02 2.833036021e+02 4.648373785e+02 1.16 7.326218402e+02 3.676253302e+02 6.219708390e+02 7.335019356e+02 7.343734284e+02 2.494958951e+02 4.066078856e+02 6.513367378e+02 2.537368719e+02 4.173720567e+02 1.18 6.607209163e+02 3.306205478e+02 5.598718831e+02 6.614936326e+02 6.622600294e+02 2.239846805e+02 3.646964758e+02 5.869690687e+02 2.274924552e+02 3.754304719e+02 1.20 5.966634419e+02 2.976331836e+02 5.043926863e+02 5.972402487e+02 5.978160771e+02 2.011642325e+02 3.276193551e+02 5.295822581e+02 2.041525496e+02 3.380763446e+02 1.22 5.393747684e+02 2.680473804e+02 4.547250957e+02 5.397358573e+02 5.400950072e+02 1.806843746e+02 2.948261396e+02 4.783089039e+02 1.833358060e+02 3.046601844e+02 1.24 4.880389783e+02 2.414074777e+02 4.104732746e+02 4.882038810e+02 4.883647076e+02 1.625243694e+02 2.658407177e+02 4.324323735e+02 1.648460496e+02 2.747173338e+02 1.26 4.419845083e+02 2.173752752e+02 3.707690362e+02 4.419465215e+02 4.419053233e+02 1.461368469e+02 2.399981322e+02 3.913127073e+02 1.483132333e+02 2.478550675e+02 1.28 4.006066176e+02 1.956670991e+02 3.350699214e+02 4.003714967e+02 4.001359287e+02 1.312564815e+02 2.168598025e+02 3.544046039e+02 1.334458367e+02 2.237263899e+02 1.30 3.633845580e+02 1.760508617e+02 3.030765308e+02 3.629950390e+02 3.626035218e+02 1.178003508e+02 1.960569410e+02 3.212116945e+02 1.200778317e+02 2.020629796e+02 1.32 3.298764593e+02 1.583748345e+02 2.745328865e+02 3.293989654e+02 3.289145617e+02 1.057049716e+02 1.773176627e+02 2.912797351e+02 1.080643878e+02 1.826300673e+02 1.34 2.996589959e+02 1.424961163e+02 2.490873628e+02 2.991642815e+02 2.986594882e+02 9.487306392e+01 1.604137552e+02 2.642261117e+02 9.727592275e+01 1.651992390e+02 1.36 2.723313504e+02 1.282722897e+02 2.263718344e+02 2.718910848e+02 2.714417957e+02 8.519141873e+01 1.451555812e+02 2.397237072e+02 8.772239856e+01 1.495523039e+02 1.38 2.475145128e+02 1.155577698e+02 2.060488843e+02 2.472028831e+02 2.468856324e+02 7.653086735e+01 1.315458260e+02 2.174513863e+02 7.909454368e+01 1.354636025e+02 1.40 2.248939906e+02 1.042251482e+02 1.877553078e+02 2.247616744e+02 2.246280361e+02 6.873909573e+01 1.193169441e+02 1.972375155e+02 7.130767352e+01 1.227300054e+02 1.42 2.043332655e+02 9.412419654e+01 1.711474037e+02 2.043914920e+02 2.044530711e+02 6.166782858e+01 1.082449705e+02 1.790018845e+02 6.426525740e+01 1.113076180e+02 1.44 1.857878180e+02 8.509523236e+01 1.559644319e+02 1.860078741e+02 1.862354958e+02 5.519688670e+01 9.821462896e+01 1.626723587e+02 5.787181215e+01 1.011854422e+02 1.46 1.690543971e+02 7.699214305e+01 1.420125877e+02 1.693805070e+02 1.697169258e+02 4.923424503e+01 8.911406718e+01 1.480330613e+02 5.204418264e+01 9.201260090e+01 1.48 1.540103876e+02 6.968379072e+01 1.291291665e+02 1.543749253e+02 1.547496315e+02 4.370277099e+01 8.083439756e+01 1.349206347e+02 4.670711090e+01 8.370513184e+01 1.50 1.405186560e+02 6.305249461e+01 1.172432921e+02 1.408587861e+02 1.412061720e+02 3.858302856e+01 7.329393025e+01 1.231663310e+02 4.180464986e+01 7.617908476e+01 1.52 1.284432124e+02 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3.051806186e+01 5.976592293e+01 7.560946114e+01 7.544955197e+01 1.486244419e+01 3.672928182e+01 6.524318330e+01 1.752234551e+01 3.885479186e+01 1.66 6.915148910e+01 2.752804684e+01 5.449899718e+01 6.900078088e+01 6.884754741e+01 1.289140692e+01 3.314827038e+01 5.927666002e+01 1.522919664e+01 3.495255448e+01 1.68 6.299664367e+01 2.480825002e+01 4.972947758e+01 6.286419499e+01 6.273148999e+01 1.112852799e+01 2.982545194e+01 5.378193306e+01 1.314424074e+01 3.129559311e+01 1.70 5.727492588e+01 2.233582302e+01 4.539232071e+01 5.716985790e+01 5.706650844e+01 9.540433906e+00 2.675539977e+01 4.874296406e+01 1.125762052e+01 2.786287232e+01 1.72 5.198473850e+01 2.008754204e+01 4.142707060e+01 5.191114795e+01 5.184077934e+01 8.095787463e+00 2.393313823e+01 4.413737709e+01 9.550651822e+00 2.464518984e+01 1.74 4.712926385e+01 1.804305197e+01 3.784160929e+01 4.708606705e+01 4.704695857e+01 6.771325843e+00 2.134770321e+01 3.994909849e+01 8.007455571e+00 2.165972913e+01 1.76 4.270339930e+01 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8.207036827e+00 1.967040098e+01 2.385996287e+01 2.390136225e+01 4.102844858e-01 8.525702868e+00 2.000700411e+01 6.189151205e-01 7.630486209e+00 1.90 2.166627896e+01 7.162324551e+00 1.780354394e+01 2.170710434e+01 2.174592185e+01 -1.251751336e-01 7.237072446e+00 1.813993357e+01 -1.038134311e-01 6.430241518e+00 1.92 1.971126942e+01 6.163009157e+00 1.607717750e+01 1.974760557e+01 1.978210113e+01 -5.877281408e-01 6.030693280e+00 1.643152248e+01 -7.680175410e-01 5.347017471e+00 1.94 1.792287808e+01 5.202631838e+00 1.447912941e+01 1.795363100e+01 1.798294068e+01 -9.846079221e-01 4.886455401e+00 1.486030736e+01 -1.376107477e+00 4.357248533e+00 1.96 1.627718251e+01 4.275997661e+00 1.299777540e+01 1.630213670e+01 1.632620903e+01 -1.322772076e+00 3.808378399e+00 1.356413963e+01 -1.930112956e+00 3.444486948e+00 1.98 1.475202482e+01 3.380518884e+00 1.162194957e+01 1.477171412e+01 1.479114915e+01 -1.608883805e+00 2.802018732e+00 1.234210509e+01 -2.429978408e+00 2.593171643e+00 2.00 1.333285539e+01 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7.377601393e+00 -1.580677334e+00 4.633356796e+00 7.380774134e+00 7.383994435e+00 -2.413702075e+00 -1.780264864e+00 5.646323611e+00 -4.213255057e+00 -1.563011220e+00 2.14 6.525983484e+00 -2.111456395e+00 3.802044622e+00 6.528769331e+00 6.531562764e+00 -2.484674423e+00 -2.186058502e+00 4.853470161e+00 -4.311184234e+00 -1.985471026e+00 2.16 5.713008117e+00 -2.603557968e+00 3.013575258e+00 5.715706206e+00 5.718404324e+00 -2.553018148e+00 -2.551149204e+00 4.094618302e+00 -4.383660445e+00 -2.364390863e+00 2.18 4.935945524e+00 -3.060370812e+00 2.271611018e+00 4.938792193e+00 4.941638862e+00 -2.619676962e+00 -2.882315821e+00 3.367161137e+00 -4.436090201e+00 -2.703080330e+00 2.20 4.192131342e+00 -3.483518140e+00 1.575941929e+00 4.195292141e+00 4.198452940e+00 -2.685635418e+00 -3.184590041e+00 2.668680229e+00 -4.473656743e+00 -3.004701383e+00 2.22 3.479157789e+00 -3.874935519e+00 9.246631564e-01 3.482673139e+00 3.486188489e+00 -2.751847657e+00 -3.462647993e+00 1.997005136e+00 -4.500930013e+00 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