# 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 = 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 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 1.588362025e+02 nan nan 1.16 1.449560812e+02 nan nan 1.18 1.322772550e+02 nan nan 1.20 1.206982014e+02 nan nan 1.22 1.101238573e+02 nan nan 1.24 1.004623809e+02 nan nan 1.26 9.162585250e+01 nan nan 1.28 8.353197173e+01 1.355166579e+02 1.577398483e+02 1.30 7.610533620e+01 1.246103960e+02 1.454440940e+02 1.32 6.927919745e+01 1.145762665e+02 1.340923050e+02 1.34 6.299740709e+01 1.053346315e+02 1.235970653e+02 1.36 5.721486845e+01 9.681099625e+01 1.138825411e+02 1.38 5.189560257e+01 8.893791228e+01 1.048846536e+02 1.40 4.700925536e+01 8.165625887e+01 9.654900816e+01 1.42 4.252760729e+01 7.491568393e+01 8.882810140e+01 1.44 3.842215763e+01 6.867353087e+01 8.167924298e+01 1.46 3.466398850e+01 6.289257708e+01 7.506321666e+01 1.48 3.122537842e+01 5.753886233e+01 6.894299698e+01 1.50 2.807660847e+01 5.258067413e+01 6.328268270e+01 1.52 2.518962706e+01 4.798869347e+01 5.804728182e+01 1.54 2.253954715e+01 4.373637034e+01 5.320325376e+01 1.56 2.010475181e+01 3.979977949e+01 4.871919669e+01 1.58 1.786647386e+01 3.615722697e+01 4.456636126e+01 1.60 1.580827592e+01 3.279105926e+01 4.071892877e+01 1.62 1.391558098e+01 2.968433591e+01 3.715390641e+01 1.64 1.217536859e+01 2.682099480e+01 3.385159224e+01 1.66 1.057606183e+01 2.418633303e+01 3.079494839e+01 1.68 9.107526726e+00 2.176635941e+01 2.796521875e+01 1.70 7.761022785e+00 1.954700165e+01 2.534412744e+01 1.72 6.529007045e+00 1.751349179e+01 2.291475186e+01 1.74 5.404835477e+00 1.565028160e+01 2.066226614e+01 1.76 4.382460832e+00 1.394141346e+01 1.857402267e+01 1.78 3.456177451e+00 1.237122612e+01 1.663924786e+01 1.80 2.620406087e+00 1.092516856e+01 1.484853950e+01 1.82 1.869502120e+00 9.590471982e+00 1.319346006e+01 1.84 1.197591831e+00 8.356492289e+00 1.166631412e+01 1.86 5.984625772e-01 7.214669629e+00 1.026002600e+01 1.88 6.554133397e-02 6.158194840e+00 8.967979414e+00 1.90 -4.080117900e-01 5.181544442e+00 7.783740170e+00 1.92 -8.290972711e-01 4.280035199e+00 6.700693637e+00 1.94 -1.204400228e+00 3.449491597e+00 5.711714743e+00 1.96 -1.540113259e+00 2.686046782e+00 4.809011415e+00 1.98 -1.841717099e+00 1.986038163e+00 3.984241845e+00 2.00 -2.113847493e+00 1.345939227e+00 3.228913483e+00 2.02 -2.360251878e+00 7.622906889e-01 2.534953274e+00 2.04 -2.583829296e+00 2.316297162e-01 1.895252843e+00 2.06 -2.786727109e+00 -2.495625186e-01 1.304003186e+00 2.08 -2.970329747e+00 -6.848739917e-01 7.567420153e-01 2.10 -3.136007161e+00 -1.077927118e+00 2.501646843e-01 2.12 -3.284926968e+00 -1.432303932e+00 -2.181845812e-01 2.14 -3.418041892e+00 -1.751452428e+00 -6.502334316e-01 2.16 -3.536207841e+00 -2.038600982e+00 -1.047650029e+00 2.18 -3.640259172e+00 -2.296703111e+00 -1.412034139e+00 2.20 -3.730998941e+00 -2.528422175e+00 -1.745026024e+00 2.22 -3.809018152e+00 -2.736151702e+00 -2.048338168e+00 2.24 -3.874925601e+00 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-3.789934280e+00 -4.183086324e+00 -4.126192685e+00 2.62 -3.743671216e+00 -4.180565163e+00 -4.128620807e+00 2.64 -3.694317378e+00 -4.172825361e+00 -4.127472021e+00 2.66 -3.641894166e+00 -4.159668636e+00 -4.123351307e+00 2.68 -3.586411732e+00 -4.141010114e+00 -4.117186382e+00 2.70 -3.527876657e+00 -4.116880334e+00 -4.108802466e+00 2.72 -3.466298282e+00 -4.087405614e+00 -4.097808300e+00 2.74 -3.401693411e+00 -4.052807054e+00 -4.083883392e+00 2.76 -3.334089047e+00 -4.013366664e+00 -4.066783997e+00 2.78 -3.263523080e+00 -3.969371007e+00 -4.046342239e+00 2.80 -3.190043356e+00 -3.921122278e+00 -4.022459625e+00 2.82 -3.113706116e+00 -3.868906465e+00 -3.995096926e+00 2.84 -3.034575165e+00 -3.812971392e+00 -3.964269766e+00 2.86 -2.952723245e+00 -3.753543460e+00 -3.930080643e+00 2.88 -2.868236790e+00 -3.690849612e+00 -3.892666415e+00 2.90 -2.781224660e+00 -3.625137982e+00 -3.852165612e+00 2.92 -2.691830589e+00 -3.556692713e+00 -3.808712318e+00 2.94 -2.600248140e+00 -3.485840358e+00 -3.762431915e+00 2.96 -2.506736078e+00 -3.412947208e+00 -3.713438512e+00 2.98 -2.411631422e+00 -3.338408469e+00 -3.661834157e+00 3.00 -2.315357252e+00 -3.262631384e+00 -3.607709804e+00 3.02 -2.218422686e+00 -3.186015095e+00 -3.551147864e+00 3.04 -2.121413373e+00 -3.108930252e+00 -3.492225947e+00 3.06 -2.024972225e+00 -3.031701081e+00 -3.431021118e+00 3.08 -1.929771706e+00 -2.954591974e+00 -3.367613738e+00 3.10 -1.836480515e+00 -2.877799749e+00 -3.302089796e+00 3.12 -1.745728493e+00 -2.801451800e+00 -3.234540810e+00 3.14 -1.658073974e+00 -2.725609599e+00 -3.165060878e+00 3.16 -1.573977318e+00 -2.650276548e+00 -3.093741394e+00 3.18 -1.493783295e+00 -2.575408994e+00 -3.020664911e+00 3.20 -1.417713470e+00 -2.500929303e+00 -2.945900383e+00 3.22 -1.345868223e+00 -2.426740051e+00 -2.869502069e+00 3.24 -1.278236835e+00 -2.352738594e+00 -2.791513638e+00 3.26 -1.214713308e+00 -2.278831389e+00 -2.711977791e+00 3.28 -1.155115368e+00 -2.204947465e+00 -2.630950306e+00 3.30 -1.099204338e+00 -2.131050362e+00 -2.548516380e+00 3.32 -1.046704060e+00 -2.057147820e+00 -2.464806630e+00 3.34 -9.973176677e-01 -1.983298411e+00 -2.380010164e+00 3.36 -9.507416040e-01 -1.909614439e+00 -2.294382589e+00 3.38 -9.066767994e-01 -1.836260606e+00 -2.208247574e+00 3.40 -8.648372586e-01 -1.763448318e+00 -2.121991438e+00 3.42 -8.249565371e-01 -1.691425933e+00 -2.036051140e+00 3.44 -7.867926562e-01 -1.620465717e+00 -1.950896812e+00 3.46 -7.501319653e-01 -1.550848680e+00 -1.867010668e+00 3.48 -7.147923241e-01 -1.482848726e+00 -1.784864472e+00 3.50 -6.806257593e-01 -1.416717621e+00 -1.704897847e+00 3.52 -6.475204923e-01 -1.352672132e+00 -1.627499470e+00 3.54 -6.154019751e-01 -1.290884400e+00 -1.552992720e+00 3.56 -5.842323796e-01 -1.231476153e+00 -1.481626667e+00 3.58 -5.540079354e-01 -1.174516913e+00 -1.413572592e+00 3.60 -5.247536749e-01 -1.120025921e+00 -1.348925600e+00 3.62 -4.965155357e-01 -1.067977208e+00 -1.287710403e+00 3.64 -4.693503309e-01 -1.018307022e+00 -1.229890098e+00 3.66 -4.433146756e-01 -9.709227941e-01 -1.175376700e+00 3.68 -4.184543567e-01 -9.257128351e-01 -1.124042298e+00 3.70 -3.947956922e-01 -8.825560283e-01 -1.075729910e+00 3.72 -3.723400937e-01 -8.413308958e-01 -1.030263375e+00 3.74 -3.510624226e-01 -8.019234716e-01 -9.874558733e-01 3.76 -3.309130204e-01 -7.642334941e-01 -9.471169006e-01 3.78 -3.118226968e-01 -7.281785002e-01 -9.090576845e-01 3.80 -2.937096186e-01 -6.936955204e-01 -8.730951506e-01 3.82 -2.764869688e-01 -6.607402588e-01 -8.390546230e-01 3.84 -2.600703785e-01 -6.292839078e-01 -8.067714664e-01 3.86 -2.443843621e-01 -5.993080601e-01 -7.760918866e-01 3.88 -2.293672266e-01 -5.707984692e-01 -7.468730847e-01 3.90 -2.149741376e-01 -5.437385991e-01 -7.189829431e-01 3.92 -2.011781938e-01 -5.181039099e-01 -6.922993860e-01 3.94 -1.879695241e-01 -4.938576448e-01 -6.667095359e-01 3.96 -1.753525906e-01 -4.709485502e-01 -6.421087583e-01 3.98 -1.633420639e-01 -4.493105825e-01 -6.183996691e-01 4.00 -1.519578079e-01 -4.288643112e-01 -5.954911607e-01 4.02 -1.412196326e-01 -4.095195256e-01 -5.732974943e-01 4.04 -1.311424893e-01 -3.911784758e-01 -5.517374936e-01 4.06 -1.217326893e-01 -3.737392449e-01 -5.307338769e-01 4.08 -1.129855241e-01 -3.570988782e-01 -5.102127574e-01 4.10 -1.048844098e-01 -3.411560556e-01 -4.901033463e-01 4.12 -9.740143466e-02 -3.258132407e-01 -4.703378938e-01 4.14 -9.049900318e-02 -3.109783416e-01 -4.508519021e-01 4.16 -8.413219853e-02 -2.965659943e-01 -4.315846476e-01 4.18 -7.825144149e-02 -2.824985973e-01 -4.124800415e-01 4.20 -7.280513022e-02 -2.687072311e-01 -3.934878478e-01 4.22 -6.774204590e-02 -2.551325675e-01 -3.745652579e-01 4.24 -6.301340022e-02 -2.417258358e-01 -3.556787867e-01 4.26 -5.857434777e-02 -2.284498617e-01 -3.368064156e-01 4.28 -5.438507375e-02 -2.152801398e-01 -3.179398451e-01 4.30 -5.041232714e-02 -2.022058396e-01 -2.990866622e-01 4.32 -4.662916626e-02 -1.892305954e-01 -2.802721632e-01 4.34 -4.301509262e-02 -1.763728867e-01 -2.615405256e-01 4.36 -3.955594315e-02 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-1.291207007e-06 -5.710026276e-06 -8.543045267e-06 5.80 -1.125305829e-06 -4.977738287e-06 -7.447402555e-06 5.82 -9.812417873e-07 -4.341698402e-06 -6.495770254e-06 5.84 -8.560714699e-07 -3.788947994e-06 -5.668758386e-06 5.86 -7.472575435e-07 -3.308314728e-06 -4.949649912e-06 5.88 -6.526114414e-07 -2.890160607e-06 -4.324023702e-06 5.90 -5.702443222e-07 -2.526166364e-06 -3.779431893e-06 5.92 -4.985250788e-07 -2.209146829e-06 -3.305123606e-06 5.94 -4.360443619e-07 -1.932892735e-06 -2.891808218e-06 5.96 -3.815837372e-07 -1.692035084e-06 -2.531452414e-06 5.98 -3.340892297e-07 -1.481928794e-06 -2.217106072e-06 6.00 -2.926486156e-07 -1.298552828e-06 -1.942752815e-06