# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Mn # implementation = 2025--Sharifi-H--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 Mn Mn Ni Ni Mn Ni 0.02 8.535592855e+03 4.627988409e+05 2.828011390e+04 0.04 7.564245246e+03 1.934542832e+05 1.761357025e+04 0.06 6.880819933e+03 1.101353242e+05 1.371867175e+04 0.08 6.300277493e+03 7.150221648e+04 1.151952757e+04 0.10 5.783430366e+03 5.001136161e+04 1.001379470e+04 0.12 5.315325343e+03 3.671185755e+04 8.868913032e+03 0.14 4.888078684e+03 2.788203775e+04 7.942663070e+03 0.16 4.496575714e+03 2.172048195e+04 7.163679419e+03 0.18 4.137029258e+03 1.725883939e+04 6.491831518e+03 0.20 3.806395640e+03 1.393465691e+04 5.902484192e+03 0.22 3.502102980e+03 1.140112974e+04 5.379404000e+03 0.24 3.221910149e+03 9.434101450e+03 4.911249927e+03 0.26 2.963826348e+03 7.883078369e+03 4.489703181e+03 0.28 2.726061288e+03 6.643823836e+03 4.108408648e+03 0.30 2.506992025e+03 5.642257180e+03 3.762345385e+03 0.32 2.305139388e+03 4.824576857e+03 3.447435173e+03 0.34 2.119150261e+03 4.150981824e+03 3.160289600e+03 0.36 1.947783666e+03 3.591559458e+03 2.898041068e+03 0.38 1.789899388e+03 3.123516198e+03 2.658226124e+03 0.40 1.644448416e+03 2.729270784e+03 2.438702620e+03 0.42 1.510464725e+03 2.395115433e+03 2.237589357e+03 0.44 1.387058087e+03 2.110257711e+03 2.053220949e+03 0.46 1.273407693e+03 1.866125251e+03 1.884113356e+03 0.48 1.168756455e+03 1.655854062e+03 1.728937007e+03 0.50 1.072405857e+03 1.473906825e+03 1.586495419e+03 0.52 9.837112971e+02 1.315785606e+03 1.455707924e+03 0.54 9.020778322e+02 1.177813160e+03 1.335595484e+03 0.56 8.269563022e+02 1.056964878e+03 1.225268867e+03 0.58 7.578397724e+02 9.507388162e+02 1.123918698e+03 0.60 6.942602704e+02 8.570541847e+02 1.030806962e+03 0.62 6.357857862e+02 7.741715794e+02 9.452596950e+02 0.64 5.820175124e+02 7.006299394e+02 8.666606430e+02 0.66 5.325873003e+02 6.351963020e+02 7.944457049e+02 0.68 4.871553158e+02 5.768256025e+02 7.280980447e+02 0.70 4.454078771e+02 5.246283262e+02 6.671437602e+02 0.72 4.070554587e+02 4.778442944e+02 6.111480253e+02 0.74 3.718308494e+02 4.358213702e+02 5.597116413e+02 0.76 3.394874508e+02 3.979980540e+02 5.124679401e+02 0.78 3.097977056e+02 3.638891798e+02 4.690799942e+02 0.80 2.825516464e+02 3.330741409e+02 4.292380968e+02 0.82 2.575555534e+02 3.051871291e+02 3.926574781e+02 0.84 2.346307156e+02 2.799090185e+02 3.590762332e+02 0.86 2.136122848e+02 2.569606004e+02 3.282534361e+02 0.88 1.943482170e+02 2.360969052e+02 2.999674221e+02 0.90 1.766982938e+02 2.171024320e+02 2.740142196e+02 0.92 1.605332177e+02 1.997871246e+02 2.502061179e+02 0.94 1.457337769e+02 1.839829582e+02 2.283703559e+02 0.96 1.321900717e+02 1.695410437e+02 2.083479224e+02 0.98 1.198008012e+02 1.563291582e+02 1.899812086e+02 1.00 1.084726028e+02 1.442296309e+02 1.712914151e+02 1.02 9.811944214e+01 1.331250128e+02 1.516319498e+02 1.04 8.866204973e+01 1.227064231e+02 1.320564841e+02 1.06 8.002739960e+01 1.128558849e+02 1.132668180e+02 1.08 7.214822793e+01 1.035530988e+02 9.570847390e+01 1.10 6.496258818e+01 9.478192872e+01 7.963901118e+01 1.12 5.841343990e+01 8.652852875e+01 6.518023708e+01 1.14 5.244826893e+01 7.878000427e+01 5.235792585e+01 1.16 4.701873642e+01 7.152347279e+01 4.113186687e+01 1.18 4.208035456e+01 6.474544683e+01 3.141837868e+01 1.20 3.759218703e+01 5.843146989e+01 2.310702868e+01 1.22 3.351657230e+01 5.256594699e+01 1.607288496e+01 1.24 2.981886797e+01 4.713211923e+01 1.018533630e+01 1.26 2.646721466e+01 4.211214161e+01 5.314303526e+00 1.28 2.343231791e+01 3.748723073e+01 1.334468520e+00 1.30 2.068724674e+01 3.323785540e+01 -1.871982133e+00 1.32 1.820724761e+01 2.934394994e+01 -4.413719089e+00 1.34 1.596957251e+01 2.578513409e+01 -6.389442483e+00 1.36 1.395332034e+01 2.254092813e+01 -7.887635164e+00 1.38 1.213929027e+01 1.959095496e+01 -8.986727168e+00 1.40 1.050984639e+01 1.691512357e+01 -9.755535691e+00 1.42 9.048792643e+00 1.449379077e+01 -1.025388245e+01 1.44 7.741257399e+00 1.230789933e+01 -1.053331596e+01 1.46 6.573586751e+00 1.033909233e+01 -1.063788100e+01 1.48 5.533246029e+00 8.569804248e+00 -1.060489899e+01 1.50 4.608728822e+00 6.983329915e+00 -1.046573064e+01 1.52 3.789727663e+00 5.563873368e+00 -1.024650148e+01 1.54 3.200120604e+00 4.296578166e+00 -9.968780001e+00 1.56 3.254509853e+00 3.167541537e+00 -9.650200581e+00 1.58 3.605086230e+00 2.163814621e+00 -9.305027859e+00 1.60 3.986127266e+00 1.273390540e+00 -8.944663353e+00 1.62 4.259269447e+00 4.851827098e-01 -8.578094561e+00 1.64 4.366967852e+00 -2.110048446e-01 -8.212290004e+00 1.66 4.300422466e+00 -8.245136511e-01 -7.852543871e+00 1.68 4.077966843e+00 -1.363871482e+00 -7.502773895e+00 1.70 3.730900690e+00 -1.836836508e+00 -7.165777220e+00 1.72 3.294567286e+00 -2.250443662e+00 -6.843448336e+00 1.74 2.803046492e+00 -2.611051967e+00 -6.536963292e+00 1.76 2.286288481e+00 -2.924392267e+00 -6.246933789e+00 1.78 1.768846908e+00 -3.195614473e+00 -5.973530500e+00 1.80 1.269615027e+00 -3.429333743e+00 -5.716593788e+00 1.82 8.021566569e-01 -3.629675025e+00 -5.475724993e+00 1.84 3.753503142e-01 -3.800315739e+00 -5.250355920e+00 1.86 -5.834908056e-03 -3.944526367e+00 -5.039804348e+00 1.88 -3.395463756e-01 -4.065208808e+00 -4.843317756e+00 1.90 -6.263074901e-01 -4.164932226e+00 -4.660107259e+00 1.92 -8.683641630e-01 -4.245966471e+00 -4.489373345e+00 1.94 -1.069133663e+00 -4.310313064e+00 -4.330324786e+00 1.96 -1.232757218e+00 -4.359733686e+00 -4.182192019e+00 1.98 -1.363749070e+00 -4.395776385e+00 -4.044237066e+00 2.00 -1.466731228e+00 -4.419799502e+00 -3.915768341e+00 2.02 -1.546240177e+00 -4.432996272e+00 -3.796146667e+00 2.04 -1.606591239e+00 -4.436437131e+00 -3.684778918e+00 2.06 -1.651785725e+00 -4.431100446e+00 -3.581110683e+00 2.08 -1.685445256e+00 -4.417881444e+00 -3.484618651e+00 2.10 -1.710756686e+00 -4.397599060e+00 -3.394802576e+00 2.12 -1.730409260e+00 -4.371002213e+00 -3.311176768e+00 2.14 -1.746505979e+00 -4.338775575e+00 -3.233261062e+00 2.16 -1.760437691e+00 -4.301544884e+00 -3.160571354e+00 2.18 -1.772735272e+00 -4.259881798e+00 -3.092610052e+00 2.20 -1.782981280e+00 -4.214308381e+00 -3.028857010e+00 2.22 -1.789898319e+00 -4.165301200e+00 -2.968762018e+00 2.24 -1.791767090e+00 -4.113295100e+00 -2.911740450e+00 2.26 -1.787144901e+00 -4.058686664e+00 -2.857174153e+00 2.28 -1.775427201e+00 -4.001837390e+00 -2.804420072e+00 2.30 -1.756747336e+00 -3.943076599e+00 -2.752828783e+00 2.32 -1.731483812e+00 -3.882704111e+00 -2.701773814e+00 2.34 -1.700140994e+00 -3.820992693e+00 -2.650690121e+00 2.36 -1.663595450e+00 -3.758190304e+00 -2.599116485e+00 2.38 -1.623094242e+00 -3.694522150e+00 -2.546733240e+00 2.40 -1.579916570e+00 -3.630192574e+00 -2.493385294e+00 2.42 -1.535079336e+00 -3.565386782e+00 -2.439082480e+00 2.44 -1.489280858e+00 -3.500272426e+00 -2.383975018e+00 2.46 -1.442991002e+00 -3.435001060e+00 -2.328309394e+00 2.48 -1.396551512e+00 -3.369709467e+00 -2.272376530e+00 2.50 -1.350239070e+00 -3.304520680e+00 -2.216463801e+00 2.52 -1.304287846e+00 -3.239540871e+00 -2.160821422e+00 2.54 -1.258892044e+00 -3.174861427e+00 -2.105647845e+00 2.56 -1.214211382e+00 -3.110564697e+00 -2.051090756e+00 2.58 -1.170375722e+00 -3.046724868e+00 -1.997257010e+00 2.60 -1.127489089e+00 -2.983408594e+00 -1.944224703e+00 2.62 -1.085633198e+00 -2.920675564e+00 -1.892052982e+00 2.64 -1.044870560e+00 -2.858579042e+00 -1.840788278e+00 2.66 -1.005247208e+00 -2.797166355e+00 -1.790467591e+00 2.68 -9.667950822e-01 -2.736479359e+00 -1.741120082e+00 2.70 -9.295341292e-01 -2.676554860e+00 -1.692767874e+00 2.72 -8.934741289e-01 -2.617425017e+00 -1.645426533e+00 2.74 -8.586162945e-01 -2.559117705e+00 -1.599105393e+00 2.76 -8.249546659e-01 -2.501656861e+00 -1.553807769e+00 2.78 -7.924773222e-01 -2.445062804e+00 -1.509531059e+00 2.80 -7.611674346e-01 -2.389352528e+00 -1.466266732e+00 2.82 -7.310041787e-01 -2.334539981e+00 -1.424000201e+00 2.84 -7.019635227e-01 -2.280636320e+00 -1.382710567e+00 2.86 -6.740189075e-01 -2.227650148e+00 -1.342370214e+00 2.88 -6.471418301e-01 -2.175587736e+00 -1.302944256e+00 2.90 -6.213023441e-01 -2.124453228e+00 -1.264389832e+00 2.92 -5.964694860e-01 -2.074248831e+00 -1.226655272e+00 2.94 -5.726116380e-01 -2.024974989e+00 -1.189679188e+00 2.96 -5.496968337e-01 -1.976630551e+00 -1.153389617e+00 2.98 -5.276930161e-01 -1.929212918e+00 -1.117703386e+00 3.00 -5.065682512e-01 -1.882718183e+00 -1.082525998e+00 3.02 -4.862909070e-01 -1.837141261e+00 -1.047752451e+00 3.04 -4.668297977e-01 -1.792476008e+00 -1.013269512e+00 3.06 -4.481543025e-01 -1.748715329e+00 -9.789600580e-01 3.08 -4.302344589e-01 -1.705851280e+00 -9.447101017e-01 3.10 -4.130410362e-01 -1.663875163e+00 -9.104188490e-01 3.12 -3.965455909e-01 -1.622777608e+00 -8.760116582e-01 3.14 -3.807205073e-01 -1.582548653e+00 -8.414548468e-01 3.16 -3.655390248e-01 -1.543177817e+00 -8.067701570e-01 3.18 -3.509752550e-01 -1.504654165e+00 -7.720456051e-01 3.20 -3.370041887e-01 -1.466966368e+00 -7.374390086e-01 3.22 -3.236016959e-01 -1.430102760e+00 -7.031712681e-01 3.24 -3.107445189e-01 -1.394051389e+00 -6.695086679e-01 3.26 -2.984102604e-01 -1.358800059e+00 -6.367365143e-01 3.28 -2.865773666e-01 -1.324336378e+00 -6.051291298e-01 3.30 -2.752251080e-01 -1.290647792e+00 -5.749223476e-01 3.32 -2.643335555e-01 -1.257721624e+00 -5.462936780e-01 3.34 -2.538835563e-01 -1.225545102e+00 -5.193527895e-01 3.36 -2.438567066e-01 -1.194105390e+00 -4.941420651e-01 3.38 -2.342353238e-01 -1.163389613e+00 -4.706448447e-01 3.40 -2.250024179e-01 -1.133384883e+00 -4.487980646e-01 3.42 -2.161416621e-01 -1.104078320e+00 -4.285062070e-01 3.44 -2.076373636e-01 -1.075457068e+00 -4.096543044e-01 3.46 -1.994744346e-01 -1.047508319e+00 -3.921187304e-01 3.48 -1.916383636e-01 -1.020219323e+00 -3.757753324e-01 3.50 -1.841151880e-01 -9.935774036e-01 -3.605050161e-01 3.52 -1.768914670e-01 -9.675699743e-01 -3.461971776e-01 3.54 -1.699542568e-01 -9.421845458e-01 -3.327514797e-01 3.56 -1.632910871e-01 -9.174087381e-01 -3.200784441e-01 3.58 -1.568899399e-01 -8.932302893e-01 -3.080992617e-01 3.60 -1.507392308e-01 -8.696370638e-01 -2.967451265e-01 3.62 -1.448277932e-01 -8.466170594e-01 -2.859563187e-01 3.64 -1.391448659e-01 -8.241584136e-01 -2.756811864e-01 3.66 -1.336800841e-01 -8.022494090e-01 -2.658751254e-01 3.68 -1.284234752e-01 -7.808784784e-01 -2.564996126e-01 3.70 -1.233654576e-01 -7.600342087e-01 -2.475213264e-01 3.72 -1.184968447e-01 -7.397053447e-01 -2.389113645e-01 3.74 -1.138088527e-01 -7.198807919e-01 -2.306445629e-01 3.76 -1.092931117e-01 -7.005496190e-01 -2.226989099e-01 3.78 -1.049416805e-01 -6.817010604e-01 -2.150550472e-01 3.80 -1.007470625e-01 -6.633245172e-01 -2.076958491e-01 3.82 -9.670222271e-02 -6.454095591e-01 -2.006060687e-01 3.84 -9.280060276e-02 -6.279459249e-01 -1.937720427e-01 3.86 -8.903613332e-02 -6.109235234e-01 -1.871814446e-01 3.88 -8.540324086e-02 -5.943324336e-01 -1.808230808e-01 3.90 -8.189684719e-02 -5.781629049e-01 -1.746867202e-01 3.92 -7.851236003e-02 -5.624053566e-01 -1.687629539e-01 3.94 -7.524565348e-02 -5.470503782e-01 -1.630430781e-01 3.96 -7.209303771e-02 -5.320887280e-01 -1.575189979e-01 3.98 -6.905121847e-02 -5.175113331e-01 -1.521831470e-01 4.00 -6.611724742e-02 -5.033092879e-01 -1.470284209e-01 4.02 -6.328846532e-02 -4.894738534e-01 -1.420481220e-01 4.04 -6.056244089e-02 -4.759964561e-01 -1.372359131e-01 4.06 -5.793690826e-02 -4.628686863e-01 -1.325857794e-01 4.08 -5.540970635e-02 -4.500822969e-01 -1.280919956e-01 4.10 -5.297872316e-02 -4.376292020e-01 -1.237490992e-01 4.12 -5.064184760e-02 -4.255014750e-01 -1.195518675e-01 4.14 -4.839693064e-02 -4.136913474e-01 -1.154952978e-01 4.16 -4.624175703e-02 -4.021912065e-01 -1.115745911e-01 4.18 -4.417402780e-02 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