# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Al-Mn # implementation = 2025--Sharifi-H--Cu-Al-Mn--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 2025-07-01 r Al Mn Cu Mn Al Al Al Cu Mn Mn Cu Cu 0.02 1.546737026e+04 2.592190389e+04 1.028140289e+05 1.931880208e+05 8.535592855e+03 4.954943043e+05 0.04 1.031710795e+04 1.513679317e+04 4.400192354e+04 7.929072663e+04 7.564245246e+03 2.067715918e+05 0.06 8.330846678e+03 1.134461672e+04 2.553665024e+04 4.414875884e+04 6.880819933e+03 1.175313404e+05 0.08 7.148826714e+03 9.289947519e+03 1.685684394e+04 2.794735512e+04 6.300277493e+03 7.618510859e+04 0.10 6.303335990e+03 7.936190180e+03 1.196920789e+04 1.901302321e+04 5.783430366e+03 5.320232879e+04 0.12 5.638158367e+03 6.940292374e+03 8.910587048e+03 1.354652518e+04 5.315325343e+03 3.899033190e+04 0.14 5.085819453e+03 6.156207448e+03 6.858160167e+03 9.966567257e+03 4.888078684e+03 2.956217573e+04 0.16 4.612005392e+03 5.511160714e+03 5.410802380e+03 7.507556378e+03 4.496575714e+03 2.298867779e+04 0.18 4.197096762e+03 4.964630297e+03 4.351605415e+03 5.758224395e+03 4.137029258e+03 1.823308975e+04 0.20 3.828812156e+03 4.492057145e+03 3.553960781e+03 4.480080996e+03 3.806395640e+03 1.469336997e+04 0.22 3.498881002e+03 4.077507259e+03 2.939466088e+03 3.526455540e+03 3.502102980e+03 1.199838587e+04 0.24 3.201390715e+03 3.710044579e+03 2.457234689e+03 2.802884063e+03 3.221910149e+03 9.908314076e+03 0.26 2.931901709e+03 3.381800326e+03 2.072950668e+03 2.246231384e+03 2.963826348e+03 8.262186709e+03 0.28 2.686943877e+03 3.086882099e+03 1.762727048e+03 1.813007635e+03 2.726061288e+03 6.948548224e+03 0.30 2.463715433e+03 2.820726655e+03 1.509490653e+03 1.472504603e+03 2.506992025e+03 5.888216958e+03 0.32 2.259894445e+03 2.579698729e+03 1.300762017e+03 1.202586931e+03 2.305139388e+03 5.023710898e+03 0.34 2.073516189e+03 2.360832891e+03 1.127243071e+03 9.870185016e+02 2.119150261e+03 4.312525978e+03 0.36 1.902890540e+03 2.161661986e+03 9.818915000e+02 8.137132072e+02 1.947783666e+03 3.722734097e+03 0.38 1.746544398e+03 1.980099439e+03 8.592966724e+02 6.735585881e+02 1.789899388e+03 3.230018814e+03 0.40 1.603180386e+03 1.814356355e+03 7.552492328e+02 5.596074167e+02 1.644448416e+03 2.815634660e+03 0.42 1.471646398e+03 1.662881659e+03 6.664381665e+02 4.665114224e+02 1.510464725e+03 2.464974559e+03 0.44 1.350912531e+03 1.524317790e+03 5.902332895e+02 3.901172388e+02 1.387058087e+03 2.166544845e+03 0.46 1.240053216e+03 1.397467264e+03 5.245267649e+02 3.271742444e+02 1.273407693e+03 1.911221691e+03 0.48 1.138233077e+03 1.281266913e+03 4.676158915e+02 2.751204398e+02 1.168756455e+03 1.691704041e+03 0.50 1.044695510e+03 1.174767671e+03 4.181151742e+02 2.319235080e+02 1.072405857e+03 1.502105674e+03 0.52 9.587533077e+02 1.077118459e+03 3.748897255e+02 1.959618429e+02 9.837112971e+02 1.337648283e+03 0.54 8.797808369e+02 9.875531412e+02 3.370042203e+02 1.659345413e+02 9.020778322e+02 1.194427931e+03 0.56 8.072074257e+02 9.053798042e+02 3.036833835e+02 1.407927169e+02 8.269563022e+02 1.069235663e+03 0.58 7.405117065e+02 8.299718565e+02 2.742811966e+02 1.196867699e+02 7.578397724e+02 9.594188230e+02 0.60 6.792167246e+02 7.607605371e+02 2.482566582e+02 1.019255403e+02 6.942602704e+02 8.627727970e+02 0.62 6.228856714e+02 6.972285510e+02 2.251545792e+02 8.694448788e+01 6.357857862e+02 7.774559690e+02 0.64 5.711181359e+02 6.389046165e+02 2.045902836e+02 7.428077666e+01 5.820175124e+02 7.019225457e+02 0.66 5.235467851e+02 5.853587469e+02 1.862373133e+02 6.355361304e+01 5.325873003e+02 6.348690383e+02 0.68 4.798344116e+02 5.361981431e+02 1.698175110e+02 5.444867798e+01 4.871553158e+02 5.751914621e+02 0.70 4.396712930e+02 4.910635938e+02 1.550929773e+02 4.670573566e+01 4.454078771e+02 5.219509113e+02 0.72 4.027728195e+02 4.496262993e+02 1.418595005e+02 4.010870750e+01 4.070554587e+02 4.743456724e+02 0.74 3.688773566e+02 4.115850582e+02 1.299411797e+02 3.447770524e+01 3.718308494e+02 4.316885815e+02 0.76 3.377443121e+02 3.766637618e+02 1.191859969e+02 2.966259983e+01 3.394874508e+02 3.933885230e+02 0.78 3.091523838e+02 3.446091541e+02 1.094621533e+02 2.553780655e+01 3.097977056e+02 3.589352330e+02 0.80 2.828979675e+02 3.151888226e+02 1.006550318e+02 2.199804929e+01 2.825516464e+02 3.278867924e+02 0.82 2.587937069e+02 2.881893895e+02 9.266466413e+01 1.895489964e+01 2.575555534e+02 2.998592632e+02 0.84 2.366671719e+02 2.634148792e+02 8.540361118e+01 1.633394175e+01 2.346307156e+02 2.745180749e+02 0.86 2.163596507e+02 2.406852418e+02 7.879518652e+01 1.407244526e+01 2.136122848e+02 2.515708458e+02 0.88 1.977250455e+02 2.198350140e+02 7.277195764e+01 1.211744436e+01 1.943482170e+02 2.307613616e+02 0.90 1.806287788e+02 2.007121022e+02 6.727448037e+01 1.042415072e+01 1.766982938e+02 2.118645162e+02 0.92 1.648635155e+02 1.831766755e+02 6.225022684e+01 8.954638725e+00 1.605332177e+02 1.946820473e+02 0.94 1.498956696e+02 1.671001571e+02 5.765267227e+01 7.676750958e+00 1.457337769e+02 1.790389199e+02 0.96 1.357782525e+02 1.523675943e+02 5.344048899e+01 6.563187569e+00 1.321900717e+02 1.647802584e+02 0.98 1.225884986e+02 1.375424162e+02 4.956436999e+01 5.590745610e+00 1.198008012e+02 1.517687326e+02 1.00 1.103472862e+02 1.220263594e+02 4.596041709e+01 4.739681814e+00 1.084726028e+02 1.398823195e+02 1.02 9.904146665e+01 1.067460864e+02 4.261633517e+01 3.993179136e+00 9.811944214e+01 1.290123884e+02 1.04 8.863831681e+01 9.226852215e+01 3.952021508e+01 3.336898737e+00 8.866204973e+01 1.190620447e+02 1.06 7.909463846e+01 7.891100364e+01 3.665791631e+01 2.758602290e+00 8.002739960e+01 1.098778159e+02 1.08 7.036233196e+01 6.682267817e+01 3.401414415e+01 2.247833117e+00 7.214822793e+01 1.006654129e+02 1.10 6.239169712e+01 5.604222740e+01 3.157322160e+01 1.795647546e+00 6.496258818e+01 9.146379971e+01 1.12 5.513329882e+01 4.653833700e+01 2.931962957e+01 1.394388090e+00 5.841343990e+01 8.251005063e+01 1.14 4.853895759e+01 3.823773996e+01 2.723837337e+01 1.037491608e+00 5.244826893e+01 7.396440465e+01 1.16 4.256222842e+01 3.104435567e+01 2.531521915e+01 7.193265098e-01 4.701873642e+01 6.592898332e+01 1.18 3.715859572e+01 2.485207544e+01 2.353683447e+01 4.350548616e-01 4.208035456e+01 5.846237608e+01 1.20 3.228552526e+01 1.955308057e+01 2.189085907e+01 1.805152779e-01 3.759218703e+01 5.159102094e+01 1.22 2.790245408e+01 1.504303837e+01 2.036592532e+01 -4.787672587e-02 3.351657230e+01 4.531804184e+01 1.24 2.397076178e+01 1.122415085e+01 1.895164386e+01 -2.532133720e-01 2.981886797e+01 3.963006341e+01 1.26 2.045374399e+01 8.006751163e+00 1.763856548e+01 -4.381667832e-01 2.646721466e+01 3.450243739e+01 1.28 1.731659491e+01 5.309937158e+00 1.641812772e+01 -6.050505184e-01 2.343231791e+01 2.990321313e+01 1.30 1.452639834e+01 3.061589156e+00 1.528259287e+01 -7.558720184e-01 2.068724674e+01 2.579612199e+01 1.32 1.205212371e+01 1.198006360e+00 1.422498140e+01 -8.923774937e-01 1.820724761e+01 2.214279285e+01 1.34 9.864622060e+00 -3.366663183e-01 1.323900452e+01 -1.016090296e+00 1.596957251e+01 1.890436756e+01 1.36 7.936617665e+00 -1.591119435e+00 1.231899820e+01 -1.128343762e+00 1.395332034e+01 1.604265299e+01 1.38 6.242691634e+00 -2.607598273e+00 1.145985982e+01 -1.230309421e+00 1.213929027e+01 1.352091593e+01 1.40 4.759255172e+00 -3.422611892e+00 1.065698888e+01 -1.323021181e+00 1.050984639e+01 1.130440623e+01 1.42 3.464511391e+00 -4.067606433e+00 9.906232158e+00 -1.407396099e+00 9.048792643e+00 9.360675047e+00 1.44 2.338405292e+00 -4.569588581e+00 9.203833482e+00 -1.484252369e+00 7.741257399e+00 7.659739491e+00 1.46 1.362562239e+00 -4.951691125e+00 8.546388034e+00 -1.554328573e+00 6.573586751e+00 6.174135775e+00 1.48 5.202172466e-01 -5.233680509e+00 7.930801617e+00 -1.618296375e+00 5.533246029e+00 4.878891588e+00 1.50 -2.038631231e-01 -5.432407611e+00 7.354254837e+00 -1.676766009e+00 4.608728822e+00 3.751442094e+00 1.52 -8.234659373e-01 -5.562204840e+00 6.814171068e+00 -1.730295877e+00 3.789727663e+00 2.771509060e+00 1.54 -1.351021722e+00 -5.635234783e+00 6.308188170e+00 -1.779400971e+00 3.200120604e+00 1.920956091e+00 1.56 -1.797696873e+00 -5.661794555e+00 5.834133729e+00 -1.824559845e+00 3.254509853e+00 1.183631264e+00 1.58 -2.173486885e+00 -5.650580702e+00 5.390003498e+00 -1.866220265e+00 3.605086230e+00 5.452050601e-01 1.60 -2.487309115e+00 -5.608919463e+00 4.973942613e+00 -1.904804685e+00 3.986127266e+00 -6.991532406e-03 1.62 -2.747093508e+00 -5.542966178e+00 4.584229366e+00 -1.940718097e+00 4.259269447e+00 -4.841239578e-01 1.64 -2.959870340e+00 -5.457877835e+00 4.219261192e+00 -1.974351151e+00 4.366967852e+00 -8.960037601e-01 1.66 -3.131854161e+00 -5.357962167e+00 3.877542563e+00 -2.006079635e+00 4.300422466e+00 -1.251229513e+00 1.68 -3.268523150e+00 -5.246806124e+00 3.557674605e+00 -2.036263209e+00 4.077966843e+00 -1.557317467e+00 1.70 -3.374693580e+00 -5.127386545e+00 3.258346158e+00 -2.065243518e+00 3.730900690e+00 -1.820821962e+00 1.72 -3.454589051e+00 -5.002165246e+00 2.978326078e+00 -2.093341675e+00 3.294567286e+00 -2.047445458e+00 1.74 -3.511904349e+00 -4.873170570e+00 2.716456633e+00 -2.120855161e+00 2.803046492e+00 -2.242138160e+00 1.76 -3.549863354e+00 -4.742065658e+00 2.471647785e+00 -2.148054195e+00 2.286288481e+00 -2.409188076e+00 1.78 -3.571265907e+00 -4.610192459e+00 2.242872253e+00 -2.175177685e+00 1.768846908e+00 -2.552301787e+00 1.80 -3.578541563e+00 -4.478635897e+00 2.029161228e+00 -2.202428886e+00 1.269615027e+00 -2.674676553e+00 1.82 -3.573798463e+00 -4.348279783e+00 1.829600616e+00 -2.229970961e+00 8.021566569e-01 -2.779064578e+00 1.84 -3.558862665e+00 -4.219832987e+00 1.643327737e+00 -2.257922692e+00 3.753503142e-01 -2.867828641e+00 1.86 -3.535327456e+00 -4.093860878e+00 1.469528406e+00 -2.286354621e+00 -5.834908056e-03 -2.942992938e+00 1.88 -3.504594886e+00 -3.970818786e+00 1.307434306e+00 -2.315285988e+00 -3.395463756e-01 -3.006289148e+00 1.90 -3.467895618e+00 -3.851071816e+00 1.156320630e+00 -2.344682812e+00 -6.263074901e-01 -3.059195460e+00 1.92 -3.426305317e+00 -3.734910827e+00 1.015503926e+00 -2.374457523e+00 -8.683641630e-01 -3.102970808e+00 1.94 -3.380759726e+00 -3.622566311e+00 8.843401035e-01 -2.404470483e+00 -1.069133663e+00 -3.138684849e+00 1.96 -3.332068524e+00 -3.514228652e+00 7.622226007e-01 -2.434533678e+00 -1.232757218e+00 -3.167244128e+00 1.98 -3.280928063e+00 -3.410062695e+00 6.485806461e-01 -2.464416740e+00 -1.363749070e+00 -3.189414935e+00 2.00 -3.227933073e+00 -3.310208285e+00 5.428776241e-01 -2.493855256e+00 -1.466731228e+00 -3.205843216e+00 2.02 -3.173587428e+00 -3.214779080e+00 4.446095233e-01 -2.522561138e+00 -1.546240177e+00 -3.217071860e+00 2.04 -3.118313378e+00 -3.123860753e+00 3.533039128e-01 -2.550230458e+00 -1.606591239e+00 -3.223555765e+00 2.06 -3.062455957e+00 -3.037508422e+00 2.685218271e-01 -2.576527416e+00 -1.651785725e+00 -3.225674884e+00 2.08 -3.006295394e+00 -2.955743090e+00 1.898535494e-01 -2.601121558e+00 -1.685445256e+00 -3.223747986e+00 2.10 -2.950057965e+00 -2.878546897e+00 1.169150015e-01 -2.623718470e+00 -1.710756686e+00 -3.218060140e+00 2.12 -2.893922980e+00 -2.805857091e+00 4.934630950e-02 -2.644068639e+00 -1.730409260e+00 -3.208880312e+00 2.14 -2.838029207e+00 -2.737558643e+00 -1.319002562e-02 -2.661973800e+00 -1.746505979e+00 -3.196463067e+00 2.16 -2.782480803e+00 -2.673475611e+00 -7.101185140e-02 -2.677290441e+00 -1.760437691e+00 -3.181049242e+00 2.18 -2.727352759e+00 -2.613361634e+00 -1.244218035e-01 -2.689930309e+00 -1.772735272e+00 -3.162866597e+00 2.20 -2.672695843e+00 -2.556890395e+00 -1.737147306e-01 -2.699858094e+00 -1.782981280e+00 -3.142130428e+00 2.22 -2.618541027e+00 -2.503647771e+00 -2.191897577e-01 -2.707086710e+00 -1.789898319e+00 -3.119044162e+00 2.24 -2.564903357e+00 -2.453128781e+00 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