# 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 = MoTa3 # 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 4.424872717e+02 nan nan 1.16 4.076391888e+02 nan nan 1.18 3.756204359e+02 nan nan 1.20 3.461861830e+02 nan nan 1.22 3.191135051e+02 nan nan 1.24 2.941973047e+02 nan nan 1.26 2.712476134e+02 nan nan 1.28 2.500895676e+02 3.843499367e+02 4.396939120e+02 1.30 2.305650209e+02 3.565653288e+02 4.086726377e+02 1.32 2.125335772e+02 3.308412031e+02 3.799074717e+02 1.34 1.958715154e+02 3.070123882e+02 3.532148718e+02 1.36 1.804688282e+02 2.849262259e+02 3.284302215e+02 1.38 1.662258140e+02 2.644414570e+02 3.054057151e+02 1.40 1.530505874e+02 2.454283072e+02 2.840067727e+02 1.42 1.408579829e+02 2.277686314e+02 2.641088208e+02 1.44 1.295694918e+02 2.113551414e+02 2.455956828e+02 1.46 1.191134727e+02 1.960897802e+02 2.283596702e+02 1.48 1.094249866e+02 1.818820892e+02 2.123024728e+02 1.50 1.004450901e+02 1.686483770e+02 1.973355942e+02 1.52 9.211989863e+01 1.563118698e+02 1.833796220e+02 1.54 8.439981538e+01 1.448033570e+02 1.703626285e+02 1.56 7.723907291e+01 1.340615892e+02 1.582185660e+02 1.58 7.059547412e+01 1.240329302e+02 1.468862728e+02 1.60 6.443016955e+01 1.146702545e+02 1.363090807e+02 1.62 5.870740043e+01 1.059314652e+02 1.264346373e+02 1.64 5.339423604e+01 9.777809562e+01 1.172145922e+02 1.66 4.846037138e+01 9.017429151e+01 1.086040616e+02 1.68 4.387802596e+01 8.308622367e+01 1.005610226e+02 1.70 3.962192305e+01 7.648179821e+01 9.304588042e+01 1.72 3.566926882e+01 7.033048503e+01 8.602137231e+01 1.74 3.199963186e+01 6.460314793e+01 7.945278161e+01 1.76 2.859466229e+01 5.927186580e+01 7.330825932e+01 1.78 2.543766394e+01 5.430981017e+01 6.755900302e+01 1.80 2.251310121e+01 4.969124659e+01 6.217915702e+01 1.82 1.981244150e+01 4.539166596e+01 5.714546929e+01 1.84 1.733286169e+01 4.138797716e+01 5.243684128e+01 1.86 1.506017749e+01 3.765866088e+01 4.803389417e+01 1.88 1.297948678e+01 3.418381347e+01 4.391860345e+01 1.90 1.107637372e+01 3.094507252e+01 4.007399680e+01 1.92 9.336994478e+00 2.792546786e+01 3.648389911e+01 1.94 7.748181163e+00 2.510925802e+01 3.313272856e+01 1.96 6.297527198e+00 2.248190182e+01 3.000536813e+01 1.98 4.973424849e+00 2.003702145e+01 2.708713496e+01 2.00 3.765044357e+00 1.776991227e+01 2.436384726e+01 2.02 2.662270391e+00 1.566983008e+01 2.182208733e+01 2.04 1.655632414e+00 1.372441169e+01 1.945778161e+01 2.06 7.362676972e-01 1.192216250e+01 1.726381048e+01 2.08 -1.040630648e-01 1.025251150e+01 1.522981870e+01 2.10 -8.729167024e-01 8.705796123e+00 1.334499070e+01 2.12 -1.577096342e+00 7.273217007e+00 1.159918389e+01 2.14 -2.222603453e+00 5.946777045e+00 9.982964973e+00 2.16 -2.814636323e+00 4.719216128e+00 8.487415361e+00 2.18 -3.357639825e+00 3.583943259e+00 7.103977422e+00 2.20 -3.855396632e+00 2.534961245e+00 5.824378354e+00 2.22 -4.311142634e+00 1.566779520e+00 4.640647288e+00 2.24 -4.727688154e+00 6.743156836e-01 3.545213115e+00 2.26 -5.107529649e+00 -1.472076493e-01 2.531044015e+00 2.28 -5.452941877e+00 -9.023597656e-01 1.591776421e+00 2.30 -5.766046376e+00 -1.595579679e+00 7.217879631e-01 2.32 -6.048856925e+00 -2.231222877e+00 -8.380791650e-02 2.34 -6.303305723e+00 -2.813569172e+00 -8.292401191e-01 2.36 -6.531255182e+00 -3.346791356e+00 -1.518204815e+00 2.38 -6.734500007e+00 -3.834893726e+00 -2.154004021e+00 2.40 -6.914763330e+00 -4.281637471e+00 -2.739669412e+00 2.42 -7.073689550e+00 -4.690472890e+00 -3.278054189e+00 2.44 -7.212835554e+00 -5.064494830e+00 -3.771887984e+00 2.46 -7.333661288e+00 -5.406429321e+00 -4.223799445e+00 2.48 -7.437520211e+00 -5.718649938e+00 -4.636316673e+00 2.50 -7.525640917e+00 -6.003215649e+00 -5.011857196e+00 2.52 -7.598882377e+00 -6.261919505e+00 -5.352717577e+00 2.54 -7.658321623e+00 -6.496338717e+00 -5.661069424e+00 2.56 -7.705058747e+00 -6.707879908e+00 -5.938964747e+00 2.58 -7.740017997e+00 -6.897816615e+00 -6.188350353e+00 2.60 -7.763953677e+00 -7.067318629e+00 -6.411088619e+00 2.62 -7.777437488e+00 -7.217474055e+00 -6.608980663e+00 2.64 -7.780814114e+00 -7.349305410e+00 -6.783787400e+00 2.66 -7.774499309e+00 -7.463780896e+00 -6.937244208e+00 2.68 -7.758671341e+00 -7.561821708e+00 -7.071065818e+00 2.70 -7.732902490e+00 -7.644306046e+00 -7.186939740e+00 2.72 -7.696706014e+00 -7.712048778e+00 -7.286508707e+00 2.74 -7.649684964e+00 -7.765611165e+00 -7.371345037e+00 2.76 -7.591535700e+00 -7.805856805e+00 -7.442921622e+00 2.78 -7.522046844e+00 -7.833712491e+00 -7.502584946e+00 2.80 -7.441054417e+00 -7.850035597e+00 -7.551443211e+00 2.82 -7.348325114e+00 -7.855620469e+00 -7.590347949e+00 2.84 -7.243683606e+00 -7.851206350e+00 -7.620419881e+00 2.86 -7.127037071e+00 -7.837486419e+00 -7.642615922e+00 2.88 -6.998360376e+00 -7.815036802e+00 -7.657714214e+00 2.90 -6.857689908e+00 -7.784379664e+00 -7.666338843e+00 2.92 -6.705128726e+00 -7.745696354e+00 -7.668984475e+00 2.94 -6.540864162e+00 -7.699002701e+00 -7.665958912e+00 2.96 -6.365197132e+00 -7.644390893e+00 -7.657564624e+00 2.98 -6.178580389e+00 -7.582021205e+00 -7.643994311e+00 3.00 -5.981660862e+00 -7.512105205e+00 -7.625004432e+00 3.02 -5.775319417e+00 -7.434887329e+00 -7.600322566e+00 3.04 -5.560700123e+00 -7.350626090e+00 -7.569732854e+00 3.06 -5.339220924e+00 -7.259506866e+00 -7.533066227e+00 3.08 -5.112558829e+00 -7.161565819e+00 -7.490192672e+00 3.10 -4.882605626e+00 -7.056825456e+00 -7.441014717e+00 3.12 -4.651394501e+00 -6.945309469e+00 -7.385456062e+00 3.14 -4.421003187e+00 -6.827044536e+00 -7.323374701e+00 3.16 -4.193444136e+00 -6.702068855e+00 -7.254593192e+00 3.18 -3.970555527e+00 -6.570446292e+00 -7.178970096e+00 3.20 -3.753907537e+00 -6.432284456e+00 -7.096396553e+00 3.22 -3.544735945e+00 -6.287754607e+00 -7.006793161e+00 3.24 -3.343910402e+00 -6.137110917e+00 -6.910109952e+00 3.26 -3.151938767e+00 -5.980706417e+00 -6.806329556e+00 3.28 -2.969003257e+00 -5.819003001e+00 -6.695473202e+00 3.30 -2.795020091e+00 -5.652573312e+00 -6.577608689e+00 3.32 -2.629712142e+00 -5.482093156e+00 -6.452859020e+00 3.34 -2.472684112e+00 -5.308324247e+00 -6.321410046e+00 3.36 -2.323491169e+00 -5.132088409e+00 -6.183515395e+00 3.38 -2.181694391e+00 -4.954235544e+00 -6.039497113e+00 3.40 -2.046899176e+00 -4.775608446e+00 -5.889740908e+00 3.42 -1.918775501e+00 -4.597007876e+00 -5.734685625e+00 3.44 -1.797061377e+00 -4.419161027e+00 -5.574807401e+00 3.46 -1.681552810e+00 -4.242695905e+00 -5.410599844e+00 3.48 -1.572084783e+00 -4.068123346e+00 -5.242552327e+00 3.50 -1.468508315e+00 -3.895827504e+00 -5.071128923e+00 3.52 -1.370668271e+00 -3.726064971e+00 -4.896750602e+00 3.54 -1.278385638e+00 -3.558972055e+00 -4.719783040e+00 3.56 -1.191446581e+00 -3.394579333e+00 -4.540531765e+00 3.58 -1.109599057e+00 -3.232832234e+00 -4.359245547e+00 3.60 -1.032556466e+00 -3.073616226e+00 -4.176128050e+00 3.62 -9.600068558e-01 -2.916784962e+00 -3.991356901e+00 3.64 -8.916257068e-01 -2.762189698e+00 -3.805108583e+00 3.66 -8.270902331e-01 -2.609708201e+00 -3.617586996e+00 3.68 -7.660933501e-01 -2.459271399e+00 -3.429053082e+00 3.70 -7.083558310e-01 -2.310886027e+00 -3.239852690e+00 3.72 -6.536356184e-01 -2.164651642e+00 -3.050439741e+00 3.74 -6.017336819e-01 -2.020770597e+00 -2.861391938e+00 3.76 -5.524961986e-01 -1.879549886e+00 -2.673416626e+00 3.78 -5.058131648e-01 -1.741394287e+00 -2.487345141e+00 3.80 -4.616138289e-01 -1.606790954e+00 -2.304114967e+00 3.82 -4.198595711e-01 -1.476286345e+00 -2.124740323e+00 3.84 -3.805350299e-01 -1.350457257e+00 -1.950273116e+00 3.86 -3.436383825e-01 -1.229878419e+00 -1.781757484e+00 3.88 -3.091716975e-01 -1.115089536e+00 -1.620182046e+00 3.90 -2.771321999e-01 -1.006564770e+00 -1.466434353e+00 3.92 -2.475051371e-01 -9.046873414e-01 -1.321261765e+00 3.94 -2.202586528e-01 -8.097312136e-01 -1.185242126e+00 3.96 -1.953408616e-01 -7.218509572e-01 -1.058766288e+00 3.98 -1.726790670e-01 -6.410798839e-01 -9.420330524e-01 4.00 -1.521808420e-01 -5.673356667e-01 -8.350557073e-01 4.02 -1.337364915e-01 -5.004320097e-01 -7.376781970e-01 4.04 -1.172223016e-01 -4.400945609e-01 -6.495983264e-01 4.06 -1.025052065e-01 -3.859791869e-01 -5.703951513e-01 4.08 -8.944632473e-02 -3.376908870e-01 -4.995578782e-01 4.10 -7.790468751e-02 -2.948019431e-01 -4.365140352e-01 4.12 -6.774063778e-02 -2.568682943e-01 -3.806552471e-01 4.14 -5.881861708e-02 -2.234435119e-01 -3.313595534e-01 4.16 -5.100935014e-02 -1.940901107e-01 -2.880097513e-01 4.18 -4.419140585e-02 -1.683881918e-01 -2.500076829e-01 4.20 -3.825217957e-02 -1.459416092e-01 -2.167847017e-01 4.22 -3.308838901e-02 -1.263819725e-01 -1.878087505e-01 4.24 -2.860621358e-02 -1.093708202e-01 -1.625885813e-01 4.26 -2.472070024e-02 -9.460038787e-02 -1.406756715e-01 4.28 -2.135607314e-02 -8.179327328e-02 -1.216643660e-01 4.30 -1.844567938e-02 -7.070130505e-02 -1.051907184e-01 4.32 -1.593038057e-02 -6.110385204e-02 -9.093041372e-02 4.34 -1.375800471e-02 -5.280583273e-02 -7.859612151e-02 4.36 -1.188274703e-02 -4.563535047e-02 -6.793454959e-02 4.38 -1.026455281e-02 -3.944163297e-02 -5.872337473e-02 4.40 -8.868510054e-03 -3.409354186e-02 -5.076811873e-02 4.42 -7.664271757e-03 -2.947670303e-02 -4.389915866e-02 4.44 -6.625517786e-03 -2.549153647e-02 -3.796888183e-02 4.46 -5.729462289e-03 -2.205124979e-02 -3.284853020e-02 4.48 -4.956408546e-03 -1.908134908e-02 -2.842741871e-02 4.50 -4.289350688e-03 -1.651737875e-02 -2.460982574e-02 4.52 -3.713620210e-03 -1.430354389e-02 -2.131276980e-02 4.54 -3.216574263e-03 -1.239162668e-02 -1.846484302e-02 4.56 -2.787322153e-03 -1.074000915e-02 -1.600432650e-02 4.58 -2.416486483e-03 -9.312802456e-03 -1.387792656e-02 4.60 -2.095995199e-03 -8.079078268e-03 -1.203967071e-02 4.62 -1.818901101e-03 -7.012194860e-03 -1.044992985e-02 4.64 -1.579225551e-03 -6.089209204e-03 -9.074558907e-03 4.66 -1.371823383e-03 -5.290366132e-03 -7.884146042e-03 4.68 -1.192266353e-03 -4.598655786e-03 -6.853359762e-03 4.70 -1.036742676e-03 -3.999431106e-03 -5.960383010e-03 4.72 -9.019705532e-04 -3.480077800e-03 -5.186423918e-03 4.74 -7.851237767e-04 -3.029729980e-03 -4.515293632e-03 4.76 -6.837677753e-04 -2.639025399e-03 -3.933042540e-03 4.78 -5.958046611e-04 -2.299894925e-03 -3.427647154e-03 4.80 -5.194260243e-04 -2.005381385e-03 -2.988740790e-03 4.82 -4.530723930e-04 -1.749484843e-03 -2.607382052e-03 4.84 -3.953984199e-04 -1.527027781e-03 -2.275855875e-03 4.86 -3.452429897e-04 -1.333541182e-03 -1.987502580e-03 4.88 -3.016035483e-04 -1.165165732e-03 -1.736571022e-03 4.90 -2.636140569e-04 -1.018567138e-03 -1.518092408e-03 4.92 -2.305260540e-04 -8.908633613e-04 -1.327771895e-03 4.94 -2.016923853e-04 -7.795621016e-04 -1.161895413e-03 4.96 -1.765532205e-04 -6.825070480e-04 -1.017249588e-03 4.98 -1.546240335e-04 -5.978316731e-04 -8.910528781e-04 5.00 -1.354852649e-04 -5.239194897e-04 -7.808963529e-04 5.02 -1.187734300e-04 -4.593698571e-04 -6.846927372e-04 5.04 -1.041734667e-04 -4.029685503e-04 -6.006325525e-04 5.06 -9.141214623e-05 -3.536624187e-04 -5.271463543e-04 5.08 -8.025239972e-05 -3.105375566e-04 -4.628722015e-04 5.10 -7.048842819e-05 -2.728004916e-04 -4.066276228e-04 5.12 -6.194148775e-05 -2.397619652e-04 -3.573854475e-04 5.14 -5.445625434e-05 -2.108229425e-04 -3.142529566e-04 5.16 -4.789768711e-05 -1.854625393e-04 -2.764538926e-04 5.18 -4.214832064e-05 -1.632275987e-04 -2.433129254e-04 5.20 -3.710592625e-05 -1.437236865e-04 -2.142422355e-04 5.22 -3.268149118e-05 -1.266073105e-04 -1.887299181e-04 5.24 -2.879747156e-05 -1.115791922e-04 -1.663299568e-04 5.26 -2.538628121e-05 -9.837844655e-05 -1.466535507e-04 5.28 -2.238898402e-05 -8.677754469e-05 -1.293616075e-04 5.30 -1.975416167e-05 -7.657795185e-05 -1.141582438e-04 5.32 -1.743693290e-05 -6.760634840e-05 -1.007851529e-04 5.34 -1.539810346e-05 -5.971135415e-05 -8.901672375e-05 5.36 -1.360342910e-05 -5.276068773e-05 -7.865580803e-05 5.38 -1.202297613e-05 -4.663870180e-05 -6.953004674e-05 5.40 -1.063056643e-05 -4.124424351e-05 -6.148868192e-05 5.42 -9.403295528e-06 -3.648879618e-05 -5.439978743e-05 5.44 -8.321113854e-06 -3.229486465e-05 -4.814786267e-05 5.46 -7.366462771e-06 -2.859457153e-05 -4.263174061e-05 5.48 -6.523958039e-06 -2.532843617e-05 -3.776276828e-05 5.50 -5.780114402e-06 -2.244431219e-05 -3.346322330e-05 5.52 -5.123105832e-06 -1.989646245e-05 -2.966493537e-05 5.54 -4.542556723e-06 -1.764475323e-05 -2.630798859e-05 5.56 -4.029359950e-06 -1.565395209e-05 -2.334007389e-05 5.58 -3.575518251e-06 -1.389311560e-05 -2.071495949e-05 5.60 -3.174005901e-06 -1.233505529e-05 -1.839212010e-05 5.62 -2.818647994e-06 -1.095587165e-05 -1.633593226e-05 5.64 -2.504015075e-06 -9.734547134e-06 -1.451506799e-05 5.66 -2.225331100e-06 -8.652590769e-06 -1.290196496e-05 5.68 -1.978393020e-06 -7.693727508e-06 -1.147236363e-05 5.70 -1.759500483e-06 -6.843626642e-06 -1.020490244e-05 5.72 -1.565394345e-06 -6.089664252e-06 -9.080763776e-06 5.74 -1.393202879e-06 -5.420715318e-06 -8.083364149e-06 5.76 -1.240394681e-06 -4.826971722e-06 -7.198082938e-06 5.78 -1.104737432e-06 -4.299782837e-06 -6.412024803e-06 5.80 -9.842617616e-07 -3.831515843e-06 -5.713811498e-06 5.82 -8.772295829e-07 -3.415433273e-06 -5.093399362e-06 5.84 -7.821063185e-07 -3.045585625e-06 -4.541919259e-06 5.86 -6.975365387e-07 -2.716717130e-06 -4.051536133e-06 5.88 -6.223225786e-07 -2.424183050e-06 -3.615325736e-06 5.90 -5.554057657e-07 -2.163877040e-06 -3.227166372e-06 5.92 -4.958499283e-07 -1.932167350e-06 -2.881643794e-06 5.94 -4.428269055e-07 -1.725840741e-06 -2.573967617e-06 5.96 -3.956038076e-07 -1.542053184e-06 -2.299897832e-06 5.98 -3.535318127e-07 -1.378286491e-06 -2.055680157e-06 6.00 -3.160363094e-07 -1.232310147e-06 -1.837989156e-06