# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Wang-J-Oh-S-H-Lee-B-J--Cu-Mo # implementation = 2020--Wang-J--Cu-Mo--LAMMPS--ipr1 # composition = Cu3Mo # 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 2022-05-24 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 6.112044538e+02 nan nan 1.06 5.635924842e+02 nan nan 1.08 5.195178076e+02 nan nan 1.10 4.787253509e+02 nan nan 1.12 4.409780201e+02 5.988166518e+02 nan 1.14 4.060554551e+02 5.554821911e+02 nan 1.16 3.737528719e+02 5.151448985e+02 6.153789804e+02 1.18 3.438799848e+02 4.776029580e+02 5.722908243e+02 1.20 3.162599974e+02 4.426678871e+02 5.320724550e+02 1.22 2.907286683e+02 4.101636683e+02 4.945387588e+02 1.24 2.671334361e+02 3.799259380e+02 4.595162754e+02 1.26 2.453326052e+02 3.518012257e+02 4.268424783e+02 1.28 2.251945900e+02 3.256462442e+02 3.963650996e+02 1.30 2.065972059e+02 3.013272236e+02 3.679414963e+02 1.32 1.894270138e+02 2.787192898e+02 3.414380540e+02 1.34 1.735787069e+02 2.577058819e+02 3.167296275e+02 1.36 1.589545396e+02 2.381782086e+02 2.936990156e+02 1.38 1.454637973e+02 2.200347377e+02 2.722364670e+02 1.40 1.330223014e+02 2.031807211e+02 2.522392178e+02 1.42 1.215519486e+02 1.875277482e+02 2.336110556e+02 1.44 1.109802830e+02 1.729933300e+02 2.162619113e+02 1.46 1.012400963e+02 1.595005089e+02 2.001074758e+02 1.48 9.226905706e+01 1.469774950e+02 1.850688396e+02 1.50 8.400936477e+01 1.353573247e+02 1.710721551e+02 1.52 7.640742828e+01 1.245775424e+02 1.580483192e+02 1.54 6.941356694e+01 1.145799029e+02 1.459326757e+02 1.56 6.298173162e+01 1.053100927e+02 1.346647359e+02 1.58 5.706924624e+01 9.671746942e+01 1.241879163e+02 1.60 5.163656666e+01 8.875481911e+01 1.144492925e+02 1.62 4.664705645e+01 8.137812813e+01 1.053993687e+02 1.64 4.206677901e+01 7.454637096e+01 9.699186055e+01 1.66 3.786430326e+01 6.822131125e+01 8.918349243e+01 1.68 3.401052383e+01 6.236731626e+01 8.193380665e+01 1.70 3.047849358e+01 5.695118318e+01 7.520498466e+01 1.72 2.724326762e+01 5.194197711e+01 6.896167939e+01 1.74 2.428175900e+01 4.731087937e+01 6.317085801e+01 1.76 2.157260388e+01 4.303104609e+01 5.780165443e+01 1.78 1.909603672e+01 3.907747577e+01 5.282523099e+01 1.80 1.683377419e+01 3.542688587e+01 4.821464888e+01 1.82 1.476890713e+01 3.205759729e+01 4.394474651e+01 1.84 1.288580050e+01 2.894942659e+01 3.999202561e+01 1.86 1.117000019e+01 2.608358528e+01 3.633454440e+01 1.88 9.608146561e+00 2.344258583e+01 3.295181746e+01 1.90 8.187894303e+00 2.101015376e+01 2.982472195e+01 1.92 6.897837712e+00 1.877114573e+01 2.693540963e+01 1.94 5.727441635e+00 1.671147288e+01 2.426722453e+01 1.96 4.666977191e+00 1.481802943e+01 2.180462569e+01 1.98 3.707462115e+00 1.307862587e+01 1.953311493e+01 2.00 2.840605534e+00 1.148192671e+01 1.743916901e+01 2.02 2.058756527e+00 1.001739231e+01 1.551017625e+01 2.04 1.354856569e+00 8.675224619e+00 1.373437707e+01 2.06 7.223953489e-01 7.446316486e+00 1.210080834e+01 2.08 1.553697443e-01 6.322204455e+00 1.059925126e+01 2.10 -3.517541022e-01 5.295024614e+00 9.220182563e+00 2.12 -8.040760745e-01 4.357471475e+00 7.954728855e+00 2.14 -1.206294731e+00 3.502759567e+00 6.794623822e+00 2.16 -1.562737558e+00 2.724587642e+00 5.732168219e+00 2.18 -1.877389080e+00 2.017105260e+00 4.760192405e+00 2.20 -2.153916819e+00 1.374881650e+00 3.872021288e+00 2.22 -2.395695416e+00 7.928766451e-01 3.061441521e+00 2.24 -2.605828954e+00 2.664136049e-01 2.322670814e+00 2.26 -2.787171605e+00 -2.088458539e-01 1.650329221e+00 2.28 -2.942346814e+00 -6.369253951e-01 1.039412286e+00 2.30 -3.073765000e+00 -1.021555924e+00 4.852659286e-01 2.32 -3.183639978e+00 -1.366196041e+00 -1.643704744e-02 2.34 -3.274004158e+00 -1.674051117e+00 -4.697189157e-01 2.36 -3.346722587e+00 -1.948091057e+00 -8.783175613e-01 2.38 -3.403505980e+00 -2.191066867e+00 -1.245705676e+00 2.40 -3.445922739e+00 -2.405526075e+00 -1.575108701e+00 2.42 -3.475410089e+00 -2.593827107e+00 -1.869521594e+00 2.44 -3.493284382e+00 -2.758152671e+00 -2.131724500e+00 2.46 -3.500750599e+00 -2.900522229e+00 -2.364297393e+00 2.48 -3.498911164e+00 -3.022803604e+00 -2.569633748e+00 2.50 -3.488774072e+00 -3.126723793e+00 -2.749953325e+00 2.52 -3.471260400e+00 -3.213879034e+00 -2.907314094e+00 2.54 -3.447211257e+00 -3.285744175e+00 -3.043623382e+00 2.56 -3.417394190e+00 -3.343681393e+00 -3.160648274e+00 2.58 -3.382509111e+00 -3.388948313e+00 -3.260025327e+00 2.60 -3.343193763e+00 -3.422705562e+00 -3.343269637e+00 2.62 -3.300028766e+00 -3.446023792e+00 -3.411783294e+00 2.64 -3.253542277e+00 -3.459890217e+00 -3.466863285e+00 2.66 -3.204214282e+00 -3.465214700e+00 -3.509708852e+00 2.68 -3.152480563e+00 -3.462835395e+00 -3.541428371e+00 2.70 -3.098736355e+00 -3.453524017e+00 -3.563045755e+00 2.72 -3.043339708e+00 -3.437990723e+00 -3.575506430e+00 2.74 -2.986614599e+00 -3.416888654e+00 -3.579682911e+00 2.76 -2.928853791e+00 -3.390818166e+00 -3.576379994e+00 2.78 -2.870321466e+00 -3.360330746e+00 -3.566339597e+00 2.80 -2.811255653e+00 -3.325932662e+00 -3.550245271e+00 2.82 -2.751870465e+00 -3.288088348e+00 -3.528726407e+00 2.84 -2.692358150e+00 -3.247223550e+00 -3.502362145e+00 2.86 -2.632890982e+00 -3.203728248e+00 -3.471685027e+00 2.88 -2.573623003e+00 -3.157959365e+00 -3.437184390e+00 2.90 -2.514691617e+00 -3.110243287e+00 -3.399309527e+00 2.92 -2.456219063e+00 -3.060878195e+00 -3.358472630e+00 2.94 -2.398313757e+00 -3.010136237e+00 -3.315051530e+00 2.96 -2.341071532e+00 -2.958265536e+00 -3.269392241e+00 2.98 -2.284576777e+00 -2.905492054e+00 -3.221811334e+00 3.00 -2.228903468e+00 -2.852021322e+00 -3.172598137e+00 3.02 -2.174116132e+00 -2.798040045e+00 -3.122016789e+00 3.04 -2.120270708e+00 -2.743717582e+00 -3.070308140e+00 3.06 -2.067415354e+00 -2.689207326e+00 -3.017691522e+00 3.08 -2.015591169e+00 -2.634647981e+00 -2.964366398e+00 3.10 -1.964832860e+00 -2.580164736e+00 -2.910513884e+00 3.12 -1.915169347e+00 -2.525870364e+00 -2.856298170e+00 3.14 -1.866624310e+00 -2.471866229e+00 -2.801867837e+00 3.16 -1.819216693e+00 -2.418243223e+00 -2.747357081e+00 3.18 -1.772961150e+00 -2.365082635e+00 -2.692886843e+00 3.20 -1.727868453e+00 -2.312456942e+00 -2.638565863e+00 3.22 -1.683945859e+00 -2.260430558e+00 -2.584491657e+00 3.24 -1.641197433e+00 -2.209060507e+00 -2.530751418e+00 3.26 -1.599624336e+00 -2.158397061e+00 -2.477422858e+00 3.28 -1.559225081e+00 -2.108484316e+00 -2.424574979e+00 3.30 -1.519995754e+00 -2.059360730e+00 -2.372268797e+00 3.32 -1.481930197e+00 -2.011059613e+00 -2.320558003e+00 3.34 -1.445020169e+00 -1.963609587e+00 -2.269489584e+00 3.36 -1.409255474e+00 -1.917034998e+00 -2.219104386e+00 3.38 -1.374624057e+00 -1.871356301e+00 -2.169437647e+00 3.40 -1.341112074e+00 -1.826590414e+00 -2.120519480e+00 3.42 -1.308703937e+00 -1.782751035e+00 -2.072375326e+00 3.44 -1.277382326e+00 -1.739848939e+00 -2.025026366e+00 3.46 -1.247128179e+00 -1.697892244e+00 -1.978489905e+00 3.48 -1.217920656e+00 -1.656886655e+00 -1.932779731e+00 3.50 -1.189737079e+00 -1.616835682e+00 -1.887906432e+00 3.52 -1.162552846e+00 -1.577740838e+00 -1.843877706e+00 3.54 -1.136341336e+00 -1.539601817e+00 -1.800698632e+00 3.56 -1.111073785e+00 -1.502416648e+00 -1.758371928e+00 3.58 -1.086719163e+00 -1.466181831e+00 -1.716898184e+00 3.60 -1.063244044e+00 -1.430892460e+00 -1.676276079e+00 3.62 -1.040612476e+00 -1.396542317e+00 -1.636502580e+00 3.64 -1.018785876e+00 -1.363123956e+00 -1.597573121e+00 3.66 -9.977229502e-01 -1.330628768e+00 -1.559481774e+00 3.68 -9.773796563e-01 -1.299047024e+00 -1.522221400e+00 3.70 -9.577092355e-01 -1.268367907e+00 -1.485783790e+00 3.72 -9.386623232e-01 -1.238579520e+00 -1.450159794e+00 3.74 -9.201871640e-01 -1.209668880e+00 -1.415339437e+00 3.76 -9.022299517e-01 -1.181621897e+00 -1.381312029e+00 3.78 -8.847353088e-01 -1.154423325e+00 -1.348066260e+00 3.80 -8.676469215e-01 -1.128056711e+00 -1.315590294e+00 3.82 -8.509083321e-01 -1.102504320e+00 -1.283871845e+00 3.84 -8.344638850e-01 -1.077747045e+00 -1.252898254e+00 3.86 -8.182598065e-01 -1.053764307e+00 -1.222656558e+00 3.88 -8.022453818e-01 -1.030533954e+00 -1.193133548e+00 3.90 -7.863741800e-01 -1.008032144e+00 -1.164315823e+00 3.92 -7.706052588e-01 -9.862332391e-01 -1.136189847e+00 3.94 -7.549042715e-01 -9.651097095e-01 -1.108741986e+00 3.96 -7.392443938e-01 -9.446320574e-01 -1.081958553e+00 3.98 -7.236069884e-01 -9.247687733e-01 -1.055825846e+00 4.00 -7.079819407e-01 -9.054863401e-01 -1.030330175e+00 4.02 -6.923676187e-01 -8.867492989e-01 -1.005457897e+00 4.04 -6.767704401e-01 -8.685203936e-01 -9.811954405e-01 4.06 -6.612040640e-01 -8.507608095e-01 -9.575293258e-01 4.08 -6.456882571e-01 -8.334305208e-01 -9.344461894e-01 4.10 -6.302475154e-01 -8.164887557e-01 -9.119328004e-01 4.12 -6.149095406e-01 -7.998945857e-01 -8.899760763e-01 4.14 -5.997036819e-01 -7.836076303e-01 -8.685630971e-01 4.16 -5.846594502e-01 -7.675888654e-01 -8.476811171e-01 4.18 -5.698051965e-01 -7.518015029e-01 -8.273175753e-01 4.20 -5.551670258e-01 -7.362119026e-01 -8.074600748e-01 4.22 -5.407679889e-01 -7.207904613e-01 -7.880963159e-01 4.24 -5.266275665e-01 -7.055124178e-01 -7.692143728e-01 4.26 -5.127614343e-01 -6.903585076e-01 -7.508029649e-01 4.28 -4.991814746e-01 -6.753154080e-01 -7.328502323e-01 4.30 -4.858959893e-01 -6.603759216e-01 -7.153448508e-01 4.32 -4.729100558e-01 -6.455388701e-01 -6.982757285e-01 4.34 -4.602259726e-01 -6.308086919e-01 -6.816319957e-01 4.36 -4.478437404e-01 -6.161947647e-01 -6.654030059e-01 4.38 -4.357615378e-01 -6.017105018e-01 -6.495783355e-01 4.40 -4.239761588e-01 -5.873722907e-01 -6.341477840e-01 4.42 -4.124833922e-01 -5.731983544e-01 -6.191013723e-01 4.44 -4.012783335e-01 -5.592076230e-01 -6.044293419e-01 4.46 -3.903556292e-01 -5.454186918e-01 -5.901221532e-01 4.48 -3.797096587e-01 -5.318489317e-01 -5.761704829e-01 4.50 -3.693346636e-01 -5.185137959e-01 -5.625652224e-01 4.52 -3.592248359e-01 -5.054263444e-01 -5.492974746e-01 4.54 -3.493743747e-01 -4.925969854e-01 -5.363585513e-01 4.56 -3.397775217e-01 -4.800334166e-01 -5.237399704e-01 4.58 -3.304285822e-01 -4.677407311e-01 -5.114334522e-01 4.60 -3.213219373e-01 -4.557216488e-01 -4.994309170e-01 4.62 -3.124520505e-01 -4.439768274e-01 -4.877244807e-01 4.64 -3.038134717e-01 -4.325052138e-01 -4.763064522e-01 4.66 -2.954008389e-01 -4.213043981e-01 -4.651693293e-01 4.68 -2.872088800e-01 -4.103709443e-01 -4.543057953e-01 4.70 -2.792324130e-01 -3.997006798e-01 -4.437087155e-01 4.72 -2.714663467e-01 -3.892889343e-01 -4.333711333e-01 4.74 -2.639056807e-01 -3.791307272e-01 -4.232862669e-01 4.76 -2.565455059e-01 -3.692209062e-01 -4.134475053e-01 4.78 -2.493810038e-01 -3.595542454e-01 -4.038484049e-01 4.80 -2.424074468e-01 -3.501255115e-01 -3.944826860e-01 4.82 -2.356200766e-01 -3.409295052e-01 -3.853442288e-01 4.84 -2.284030788e-01 -3.319610867e-01 -3.764270703e-01 4.86 -2.152973912e-01 -3.232151898e-01 -3.677254008e-01 4.88 -1.869860798e-01 -3.146868298e-01 -3.592335601e-01 4.90 -1.585689294e-01 -3.063711068e-01 -3.509460345e-01 4.92 -1.540953372e-01 -2.982632078e-01 -3.428574531e-01 4.94 -1.497473723e-01 -2.903584067e-01 -3.349625851e-01 4.96 -1.455215527e-01 -2.826520646e-01 -3.272563359e-01 4.98 -1.414144900e-01 -2.751396289e-01 -3.197337445e-01 5.00 -1.374228865e-01 -2.678166333e-01 -3.123899802e-01 5.02 -1.335435335e-01 -2.606786967e-01 -3.052203395e-01 5.04 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