# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ni-Mn # implementation = 2025--Sharifi-H--Cu-Ni-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 Ni Ni Cu Cu Mn Mn Cu Ni Cu Mn Mn Ni 0.02 4.627988409e+05 4.954943043e+05 8.535592855e+03 4.788443024e+05 2.592190389e+04 2.828011390e+04 0.04 1.934542832e+05 2.067715918e+05 7.564245246e+03 1.999800249e+05 1.513679317e+04 1.761357025e+04 0.06 1.101353242e+05 1.175313404e+05 6.880819933e+03 1.137523206e+05 1.134461672e+04 1.371867175e+04 0.08 7.150221648e+04 7.618510859e+04 6.300277493e+03 7.378672299e+04 9.289947519e+03 1.151952757e+04 0.10 5.001136161e+04 5.320232879e+04 5.783430366e+03 5.156343196e+04 7.936190180e+03 1.001379470e+04 0.12 3.671185755e+04 3.899033190e+04 5.315325343e+03 3.781621181e+04 6.940292374e+03 8.868913032e+03 0.14 2.788203775e+04 2.956217573e+04 4.888078684e+03 2.869304123e+04 6.156207448e+03 7.942663070e+03 0.16 2.172048195e+04 2.298867779e+04 4.496575714e+03 2.232971480e+04 5.511160714e+03 7.163679419e+03 0.18 1.725883939e+04 1.823308975e+04 4.137029258e+03 1.772426860e+04 4.964630297e+03 6.491831518e+03 0.20 1.393465691e+04 1.469336997e+04 3.806395640e+03 1.429479388e+04 4.492057145e+03 5.902484192e+03 0.22 1.140112974e+04 1.199838587e+04 3.502102980e+03 1.168253007e+04 4.077507259e+03 5.379404000e+03 0.24 9.434101450e+03 9.908314076e+03 3.221910149e+03 9.655621288e+03 3.710044579e+03 4.911249927e+03 0.26 7.883078369e+03 8.262186709e+03 2.963826348e+03 8.058426441e+03 3.381800326e+03 4.489703181e+03 0.28 6.643823836e+03 6.948548224e+03 2.726061288e+03 6.783161326e+03 3.086882099e+03 4.108408648e+03 0.30 5.642257180e+03 5.888216958e+03 2.506992025e+03 5.753238626e+03 2.820726655e+03 3.762345385e+03 0.32 4.824576857e+03 5.023710898e+03 2.305139388e+03 4.913048328e+03 2.579698729e+03 3.447435173e+03 0.34 4.150981824e+03 4.312525978e+03 2.119150261e+03 4.221461349e+03 2.360832891e+03 3.160289600e+03 0.36 3.591559458e+03 3.722734097e+03 1.947783666e+03 3.647574978e+03 2.161661986e+03 2.898041068e+03 0.38 3.123516198e+03 3.230018814e+03 1.789899388e+03 3.167847704e+03 1.980099439e+03 2.658226124e+03 0.40 2.729270784e+03 2.815634660e+03 1.644448416e+03 2.764126630e+03 1.814356355e+03 2.438702620e+03 0.42 2.395115433e+03 2.464974559e+03 1.510464725e+03 2.422262565e+03 1.662881659e+03 2.237589357e+03 0.44 2.110257711e+03 2.166544845e+03 1.387058087e+03 2.131119032e+03 1.524317790e+03 2.053220949e+03 0.46 1.866125251e+03 1.911221691e+03 1.273407693e+03 1.881853247e+03 1.397467264e+03 1.884113356e+03 0.48 1.655854062e+03 1.691704041e+03 1.168756455e+03 1.667387034e+03 1.281266913e+03 1.728937007e+03 0.50 1.473906825e+03 1.502105674e+03 1.072405857e+03 1.482012223e+03 1.174767671e+03 1.586495419e+03 0.52 1.315785606e+03 1.337648283e+03 9.837112971e+02 1.321093710e+03 1.077118459e+03 1.455707924e+03 0.54 1.177813160e+03 1.194427931e+03 9.020778322e+02 1.180843459e+03 9.875531412e+02 1.335595484e+03 0.56 1.056964878e+03 1.069235663e+03 8.269563022e+02 1.058146875e+03 9.053798042e+02 1.225268867e+03 0.58 9.507388162e+02 9.594188230e+02 7.578397724e+02 9.504285457e+02 8.299718565e+02 1.123918698e+03 0.60 8.570541847e+02 8.627727970e+02 6.942602704e+02 8.555474180e+02 7.607605371e+02 1.030806962e+03 0.62 7.741715794e+02 7.774559690e+02 6.357857862e+02 7.717144304e+02 6.972285510e+02 9.452596950e+02 0.64 7.006299394e+02 7.019225457e+02 5.820175124e+02 6.974274403e+02 6.389046165e+02 8.666606430e+02 0.66 6.351963020e+02 6.348690383e+02 5.325873003e+02 6.314193688e+02 5.853587469e+02 7.944457049e+02 0.68 5.768256025e+02 5.751914621e+02 4.871553158e+02 5.726167215e+02 5.361981431e+02 7.280980447e+02 0.70 5.246283262e+02 5.219509113e+02 4.454078771e+02 5.201062200e+02 4.910635938e+02 6.671437602e+02 0.72 4.778442944e+02 4.743456724e+02 4.070554587e+02 4.731077646e+02 4.496262993e+02 6.111480253e+02 0.74 4.358213702e+02 4.316885815e+02 3.718308494e+02 4.309524784e+02 4.115850582e+02 5.597116413e+02 0.76 3.979980540e+02 3.933885230e+02 3.394874508e+02 3.930647630e+02 3.766637618e+02 5.124679401e+02 0.78 3.638891798e+02 3.589352330e+02 3.097977056e+02 3.589475566e+02 3.446091541e+02 4.690799942e+02 0.80 3.330741409e+02 3.278867924e+02 2.825516464e+02 3.281701996e+02 3.151888226e+02 4.292380968e+02 0.82 3.051871291e+02 2.998592632e+02 2.575555534e+02 3.003583782e+02 2.881893895e+02 3.926574781e+02 0.84 2.799090185e+02 2.745180749e+02 2.346307156e+02 2.751866121e+02 2.634148792e+02 3.590762332e+02 0.86 2.569606004e+02 2.515708458e+02 2.136122848e+02 2.531268989e+02 2.406852418e+02 3.282534361e+02 0.88 2.360969052e+02 2.307613616e+02 1.943482170e+02 2.369189433e+02 2.198350140e+02 2.999674221e+02 0.90 2.171024320e+02 2.118645162e+02 1.766982938e+02 2.248110296e+02 2.007121022e+02 2.740142196e+02 0.92 1.997871246e+02 1.946820473e+02 1.605332177e+02 2.150933386e+02 1.831766755e+02 2.502061179e+02 0.94 1.839829582e+02 1.790389199e+02 1.457337769e+02 2.066095595e+02 1.671001571e+02 2.283703559e+02 0.96 1.695410437e+02 1.647802584e+02 1.321900717e+02 1.986098460e+02 1.523675943e+02 2.083479224e+02 0.98 1.563291582e+02 1.517687326e+02 1.198008012e+02 1.906378959e+02 1.375424162e+02 1.899812086e+02 1.00 1.442296309e+02 1.398823195e+02 1.084726028e+02 1.824451825e+02 1.220263594e+02 1.712914151e+02 1.02 1.331250128e+02 1.290123884e+02 9.811944214e+01 1.739264522e+02 1.067460864e+02 1.516319498e+02 1.04 1.227064231e+02 1.190620447e+02 8.866204973e+01 1.650716574e+02 9.226852215e+01 1.320564841e+02 1.06 1.128558849e+02 1.098778159e+02 8.002739960e+01 1.559306336e+02 7.891100364e+01 1.132668180e+02 1.08 1.035530988e+02 1.006654129e+02 7.214822793e+01 1.465875622e+02 6.682267817e+01 9.570847390e+01 1.10 9.478192872e+01 9.146379971e+01 6.496258818e+01 1.371428777e+02 5.604222740e+01 7.963901118e+01 1.12 8.652852875e+01 8.251005063e+01 5.841343990e+01 1.277008207e+02 4.653833700e+01 6.518023708e+01 1.14 7.878000427e+01 7.396440465e+01 5.244826893e+01 1.183612026e+02 3.823773996e+01 5.235792585e+01 1.16 7.152347279e+01 6.592898332e+01 4.701873642e+01 1.092142876e+02 3.104435567e+01 4.113186687e+01 1.18 6.474544683e+01 5.846237608e+01 4.208035456e+01 1.003379385e+02 2.485207544e+01 3.141837868e+01 1.20 5.843146989e+01 5.159102094e+01 3.759218703e+01 9.179637201e+01 1.955308057e+01 2.310702868e+01 1.22 5.256594699e+01 4.531804184e+01 3.351657230e+01 8.364003328e+01 1.504303837e+01 1.607288496e+01 1.24 4.713211923e+01 3.963006341e+01 2.981886797e+01 7.590621004e+01 1.122415085e+01 1.018533630e+01 1.26 4.211214161e+01 3.450243739e+01 2.646721466e+01 6.862011275e+01 8.006751163e+00 5.314303526e+00 1.28 3.748723073e+01 2.990321313e+01 2.343231791e+01 6.179621715e+01 5.309937158e+00 1.334468520e+00 1.30 3.323785540e+01 2.579612199e+01 2.068724674e+01 5.543971939e+01 3.061589156e+00 -1.871982133e+00 1.32 2.934394994e+01 2.214279285e+01 1.820724761e+01 4.954800667e+01 1.198006360e+00 -4.413719089e+00 1.34 2.578513409e+01 1.890436756e+01 1.596957251e+01 4.411207031e+01 -3.366663183e-01 -6.389442483e+00 1.36 2.254092813e+01 1.604265299e+01 1.395332034e+01 3.911781809e+01 -1.591119435e+00 -7.887635164e+00 1.38 1.959095496e+01 1.352091593e+01 1.213929027e+01 3.454726168e+01 -2.607598273e+00 -8.986727168e+00 1.40 1.691512357e+01 1.130440623e+01 1.050984639e+01 3.037956468e+01 -3.422611892e+00 -9.755535691e+00 1.42 1.449379077e+01 9.360675047e+00 9.048792643e+00 2.659194987e+01 -4.067606433e+00 -1.025388245e+01 1.44 1.230789933e+01 7.659739491e+00 7.741257399e+00 2.316046943e+01 -4.569588581e+00 -1.053331596e+01 1.46 1.033909233e+01 6.174135775e+00 6.573586751e+00 2.006064561e+01 -4.951691125e+00 -1.063788100e+01 1.48 8.569804248e+00 4.878891588e+00 5.533246029e+00 1.726799332e+01 -5.233680509e+00 -1.060489899e+01 1.50 6.983329915e+00 3.751442094e+00 4.608728822e+00 1.475843629e+01 -5.432407611e+00 -1.046573064e+01 1.52 5.563873368e+00 2.771509060e+00 3.789727663e+00 1.250862984e+01 -5.562204840e+00 -1.024650148e+01 1.54 4.296578166e+00 1.920956091e+00 3.200120604e+00 1.049620240e+01 -5.635234783e+00 -9.968780001e+00 1.56 3.167541537e+00 1.183631264e+00 3.254509853e+00 8.699927893e+00 -5.661794555e+00 -9.650200581e+00 1.58 2.163814621e+00 5.452050601e-01 3.605086230e+00 7.099840229e+00 -5.650580702e+00 -9.305027859e+00 1.60 1.273390540e+00 -6.991532406e-03 3.986127266e+00 5.677299571e+00 -5.608919463e+00 -8.944663353e+00 1.62 4.851827098e-01 -4.841239578e-01 4.259269447e+00 4.415019805e+00 -5.542966178e+00 -8.578094561e+00 1.64 -2.110048446e-01 -8.960037601e-01 4.366967852e+00 3.297065089e+00 -5.457877835e+00 -8.212290004e+00 1.66 -8.245136511e-01 -1.251229513e+00 4.300422466e+00 2.308821976e+00 -5.357962167e+00 -7.852543871e+00 1.68 -1.363871482e+00 -1.557317467e+00 4.077966843e+00 1.436953636e+00 -5.246806124e+00 -7.502773895e+00 1.70 -1.836836508e+00 -1.820821962e+00 3.730900690e+00 6.693406577e-01 -5.127386545e+00 -7.165777220e+00 1.72 -2.250443662e+00 -2.047445458e+00 3.294567286e+00 -4.987369209e-03 -5.002165246e+00 -6.843448336e+00 1.74 -2.611051967e+00 -2.242138160e+00 2.803046492e+00 -5.959257183e-01 -4.873170570e+00 -6.536963292e+00 1.76 -2.924392267e+00 -2.409188076e+00 2.286288481e+00 -1.112371627e+00 -4.742065658e+00 -6.246933789e+00 1.78 -3.195614473e+00 -2.552301787e+00 1.768846908e+00 -1.562302107e+00 -4.610192459e+00 -5.973530500e+00 1.80 -3.429333743e+00 -2.674676553e+00 1.269615027e+00 -1.952850732e+00 -4.478635897e+00 -5.716593788e+00 1.82 -3.629675025e+00 -2.779064578e+00 8.021566569e-01 -2.290384976e+00 -4.348279783e+00 -5.475724993e+00 1.84 -3.800315739e+00 -2.867828641e+00 3.753503142e-01 -2.580608481e+00 -4.219832987e+00 -5.250355920e+00 1.86 -3.944526367e+00 -2.942992938e+00 -5.834908056e-03 -2.828657808e+00 -4.093860878e+00 -5.039804348e+00 1.88 -4.065208808e+00 -3.006289148e+00 -3.395463756e-01 -3.039159492e+00 -3.970818786e+00 -4.843317756e+00 1.90 -4.164932226e+00 -3.059195460e+00 -6.263074901e-01 -3.216278167e+00 -3.851071816e+00 -4.660107259e+00 1.92 -4.245966471e+00 -3.102970808e+00 -8.683641630e-01 -3.363760306e+00 -3.734910827e+00 -4.489373345e+00 1.94 -4.310313064e+00 -3.138684849e+00 -1.069133663e+00 -3.484973944e+00 -3.622566311e+00 -4.330324786e+00 1.96 -4.359733686e+00 -3.167244128e+00 -1.232757218e+00 -3.582944655e+00 -3.514228652e+00 -4.182192019e+00 1.98 -4.395776385e+00 -3.189414935e+00 -1.363749070e+00 -3.660388280e+00 -3.410062695e+00 -4.044237066e+00 2.00 -4.419799502e+00 -3.205843216e+00 -1.466731228e+00 -3.719740602e+00 -3.310208285e+00 -3.915768341e+00 2.02 -4.432996272e+00 -3.217071860e+00 -1.546240177e+00 -3.763184243e+00 -3.214779080e+00 -3.796146667e+00 2.04 -4.436437131e+00 -3.223555765e+00 -1.606591239e+00 -3.792673138e+00 -3.123860753e+00 -3.684778918e+00 2.06 -4.431100446e+00 -3.225674884e+00 -1.651785725e+00 -3.809954689e+00 -3.037508422e+00 -3.581110683e+00 2.08 -4.417881444e+00 -3.223747986e+00 -1.685445256e+00 -3.816589867e+00 -2.955743090e+00 -3.484618651e+00 2.10 -4.397599060e+00 -3.218060140e+00 -1.710756686e+00 -3.813971481e+00 -2.878546897e+00 -3.394802576e+00 2.12 -4.371002213e+00 -3.208880312e+00 -1.730409260e+00 -3.803340702e+00 -2.805857091e+00 -3.311176768e+00 2.14 -4.338775575e+00 -3.196463067e+00 -1.746505979e+00 -3.785802069e+00 -2.737558643e+00 -3.233261062e+00 2.16 -4.301544884e+00 -3.181049242e+00 -1.760437691e+00 -3.762337096e+00 -2.673475611e+00 -3.160571354e+00 2.18 -4.259881798e+00 -3.162866597e+00 -1.772735272e+00 -3.733816577e+00 -2.613361634e+00 -3.092610052e+00 2.20 -4.214308381e+00 -3.142130428e+00 -1.782981280e+00 -3.701011766e+00 -2.556890395e+00 -3.028857010e+00 2.22 -4.165301200e+00 -3.119044162e+00 -1.789898319e+00 -3.664604481e+00 -2.503647771e+00 -2.968762018e+00 2.24 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