# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2022--Xu-Y-Wang-G-Qian-P-Su-Y--Ni-Rh # implementation = 2022--Xu-Y--Ni-Rh--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 2022-05-24 r Ni Ni Ni Rh Rh Rh 0.02 9.781898483e+02 1.033529851e+03 1.091214951e+03 0.04 9.495772318e+02 1.004495631e+03 1.064013037e+03 0.06 9.215345537e+02 9.760480951e+02 1.037324718e+03 0.08 8.940560694e+02 9.481812518e+02 1.011145112e+03 0.10 8.671360296e+02 9.208891096e+02 9.854693396e+02 0.12 8.407686937e+02 8.941656776e+02 9.602925326e+02 0.14 8.149483126e+02 8.680049707e+02 9.356098230e+02 0.16 7.896691443e+02 8.424010028e+02 9.114163440e+02 0.18 7.649254453e+02 8.173477819e+02 8.877072314e+02 0.20 7.407114720e+02 7.928393305e+02 8.644776359e+02 0.22 7.170214883e+02 7.688696611e+02 8.417226925e+02 0.24 6.938497459e+02 7.454327876e+02 8.194375461e+02 0.26 6.711905012e+02 7.225227242e+02 7.976173299e+02 0.28 6.490380132e+02 7.001334892e+02 7.762571960e+02 0.30 6.273865401e+02 6.782590924e+02 7.553522723e+02 0.32 6.062303320e+02 6.568935486e+02 7.348977022e+02 0.34 5.855636491e+02 6.360308700e+02 7.148886197e+02 0.36 5.653807460e+02 6.156650666e+02 6.953201551e+02 0.38 5.456758749e+02 5.957901496e+02 6.761874378e+02 0.40 5.264432900e+02 5.764001285e+02 6.574855934e+02 0.42 5.076772402e+02 5.574890102e+02 6.392097473e+02 0.44 4.893719829e+02 5.390508003e+02 6.213550124e+02 0.46 4.715217618e+02 5.210795036e+02 6.039165047e+02 0.48 4.541208300e+02 5.035691236e+02 5.868893337e+02 0.50 4.371634355e+02 4.865136615e+02 5.702686076e+02 0.52 4.206438266e+02 4.699071193e+02 5.540494289e+02 0.54 4.045562472e+02 4.537434942e+02 5.382268918e+02 0.56 3.888949446e+02 4.380167837e+02 5.227960922e+02 0.58 3.736541634e+02 4.227209839e+02 5.077521176e+02 0.60 3.588281476e+02 4.076900345e+02 4.902147297e+02 0.62 3.444111374e+02 3.928295120e+02 4.684364780e+02 0.64 3.303973787e+02 3.783991184e+02 4.471521474e+02 0.66 3.166062828e+02 3.636095270e+02 4.263918225e+02 0.68 3.023762856e+02 3.454184263e+02 4.061805606e+02 0.70 2.885836625e+02 3.277292044e+02 3.865387871e+02 0.72 2.752215512e+02 3.105671616e+02 3.674826984e+02 0.74 2.622829575e+02 2.939520825e+02 3.490246018e+02 0.76 2.497607738e+02 2.778987825e+02 3.311732710e+02 0.78 2.376478028e+02 2.624176054e+02 3.139342646e+02 0.80 2.259367703e+02 2.475148855e+02 2.973102241e+02 0.82 2.146203392e+02 2.331933901e+02 2.813011553e+02 0.84 2.036911288e+02 2.194527145e+02 2.659047018e+02 0.86 1.931417246e+02 2.062896629e+02 2.511163811e+02 0.88 1.829646901e+02 1.936985836e+02 2.369298271e+02 0.90 1.731525793e+02 1.816716948e+02 2.233370018e+02 0.92 1.636979429e+02 1.701993724e+02 2.103283943e+02 0.94 1.545933421e+02 1.592704207e+02 1.978932126e+02 0.96 1.458313512e+02 1.488723196e+02 1.860195556e+02 0.98 1.374045691e+02 1.389914450e+02 1.746945757e+02 1.00 1.293056212e+02 1.296132777e+02 1.639046234e+02 1.02 1.215271697e+02 1.207225848e+02 1.536353906e+02 1.04 1.140619153e+02 1.123035935e+02 1.438720315e+02 1.06 1.069025962e+02 1.043401334e+02 1.345992799e+02 1.08 1.000427674e+02 9.681578125e+01 1.258015612e+02 1.10 9.348050797e+01 8.971361882e+01 1.174630833e+02 1.12 8.721820716e+01 8.301167732e+01 1.095679164e+02 1.14 8.125777982e+01 7.669020222e+01 1.020995148e+02 1.16 7.559513527e+01 7.073782984e+01 9.503487292e+01 1.18 7.021812643e+01 6.514597160e+01 8.835170684e+01 1.20 6.511086625e+01 5.990236893e+01 8.203483565e+01 1.22 6.026179621e+01 5.498801340e+01 7.607354004e+01 1.24 5.566201732e+01 5.037927234e+01 7.045770310e+01 1.26 5.130348024e+01 4.605281468e+01 6.517448936e+01 1.28 4.718068347e+01 4.199071205e+01 6.020688818e+01 1.30 4.329139636e+01 3.817810202e+01 5.553477789e+01 1.32 3.963357274e+01 3.460021849e+01 5.113725803e+01 1.34 3.620088298e+01 3.124447505e+01 4.699523240e+01 1.36 3.298215803e+01 2.810304487e+01 4.309361413e+01 1.38 2.996502432e+01 2.517333336e+01 3.941960432e+01 1.40 2.714179298e+01 2.245423039e+01 3.596027212e+01 1.42 2.450808120e+01 1.994089273e+01 3.270316304e+01 1.44 2.205831551e+01 1.762288814e+01 2.963768536e+01 1.46 1.978430676e+01 1.548616755e+01 2.675640181e+01 1.48 1.767573921e+01 1.351731586e+01 2.405544860e+01 1.50 1.572218369e+01 1.170772012e+01 2.153336179e+01 1.52 1.391593124e+01 1.005300653e+01 1.918830741e+01 1.54 1.225271433e+01 8.549432397e+00 1.701590145e+01 1.56 1.073083543e+01 7.191207582e+00 1.500849077e+01 1.58 9.349715745e+00 5.969475443e+00 1.315586361e+01 1.60 8.106142308e+00 4.872939972e+00 1.144686816e+01 1.62 6.990740753e+00 3.889439717e+00 9.871340228e+00 1.64 5.989045892e+00 3.007792714e+00 8.421872196e+00 1.66 5.086906789e+00 2.219029658e+00 7.093969076e+00 1.68 4.275401895e+00 1.516672490e+00 5.884223689e+00 1.70 3.548439370e+00 8.966869001e-01 4.789202199e+00 1.72 2.900372977e+00 3.566490237e-01 3.804600876e+00 1.74 2.325868264e+00 -1.055830114e-01 2.924767361e+00 1.76 1.819804329e+00 -4.931755247e-01 2.142725416e+00 1.78 1.377152072e+00 -8.110203313e-01 1.450572773e+00 1.80 9.928721018e-01 -1.065711297e+00 8.400310038e-01 1.82 6.618695175e-01 -1.265015448e+00 3.029895882e-01 1.84 3.790141021e-01 -1.417137592e+00 -1.680268880e-01 1.86 1.392023435e-01 -1.530038776e+00 -5.795173740e-01 1.88 -6.257729571e-02 -1.610955632e+00 -9.370497095e-01 1.90 -2.312029357e-01 -1.666141047e+00 -1.245454299e+00 1.92 -3.714100945e-01 -1.701030112e+00 -1.508862878e+00 1.94 -4.878053449e-01 -1.720736783e+00 -1.730831596e+00 1.96 -5.848917441e-01 -1.730206260e+00 -1.914550094e+00 1.98 -6.670953271e-01 -1.734267546e+00 -2.063084508e+00 2.00 -7.387690944e-01 -1.737675791e+00 -2.179595160e+00 2.02 -8.028396068e-01 -1.744584909e+00 -2.267483241e+00 2.04 -8.599291165e-01 -1.754919055e+00 -2.330450052e+00 2.06 -9.104568847e-01 -1.767301017e+00 -2.372479451e+00 2.08 -9.548465933e-01 -1.780589045e+00 -2.397771051e+00 2.10 -9.935184536e-01 -1.793832788e+00 -2.410653947e+00 2.12 -1.026883055e+00 -1.806236129e+00 -2.415504575e+00 2.14 -1.055336681e+00 -1.817125483e+00 -2.416681535e+00 2.16 -1.079257563e+00 -1.825930306e+00 -2.418357683e+00 2.18 -1.099003006e+00 -1.832319054e+00 -2.421854474e+00 2.20 -1.114908270e+00 -1.836194448e+00 -2.425962726e+00 2.22 -1.127289479e+00 -1.837530842e+00 -2.429722869e+00 2.24 -1.136445079e+00 -1.836356006e+00 -2.432463755e+00 2.26 -1.142655929e+00 -1.832741076e+00 -2.433728145e+00 2.28 -1.146185545e+00 -1.826791616e+00 -2.433208047e+00 2.30 -1.147280561e+00 -1.818639718e+00 -2.430689138e+00 2.32 -1.146171303e+00 -1.808436668e+00 -2.426001925e+00 2.34 -1.143072483e+00 -1.796346624e+00 -2.418996263e+00 2.36 -1.138183906e+00 -1.782540838e+00 -2.409578789e+00 2.38 -1.131691286e+00 -1.767192744e+00 -2.397724529e+00 2.40 -1.123767010e+00 -1.750473389e+00 -2.383463802e+00 2.42 -1.114570917e+00 -1.732547422e+00 -2.366870780e+00 2.44 -1.104251088e+00 -1.713569304e+00 -2.348054157e+00 2.46 -1.092944584e+00 -1.693679606e+00 -2.327149073e+00 2.48 -1.080778178e+00 -1.673001522e+00 -2.304310464e+00 2.50 -1.067869020e+00 -1.651642909e+00 -2.279707539e+00 2.52 -1.054325277e+00 -1.629703939e+00 -2.253518640e+00 2.54 -1.040246758e+00 -1.607278591e+00 -2.225927030e+00 2.56 -1.025725443e+00 -1.584454521e+00 -2.197116967e+00 2.58 -1.010845993e+00 -1.561313055e+00 -2.167270070e+00 2.60 -9.956862243e-01 -1.537929334e+00 -2.136562165e+00 2.62 -9.803175139e-01 -1.514372475e+00 -2.105160199e+00 2.64 -9.648051552e-01 -1.490705852e+00 -2.073219641e+00 2.66 -9.492087025e-01 -1.466987391e+00 -2.040882123e+00 2.68 -9.335822459e-01 -1.443269917e+00 -2.008273561e+00 2.70 -9.179746024e-01 -1.419601481e+00 -1.975502859e+00 2.72 -9.024295640e-01 -1.396025754e+00 -1.942661208e+00 2.74 -8.869859845e-01 -1.372582299e+00 -1.909822079e+00 2.76 -8.716779099e-01 -1.349306951e+00 -1.877042200e+00 2.78 -8.565346055e-01 -1.326231993e+00 -1.844362978e+00 2.80 -8.415806281e-01 -1.303386441e+00 -1.811812873e+00 2.82 -8.268358368e-01 -1.280796112e+00 -1.779410238e+00 2.84 -8.123164632e-01 -1.258483712e+00 -1.747166481e+00 2.86 -7.980363346e-01 -1.236468806e+00 -1.715089238e+00 2.88 -7.840070175e-01 -1.214767686e+00 -1.683185534e+00 2.90 -7.702388279e-01 -1.193393243e+00 -1.651464330e+00 2.92 -7.567380160e-01 -1.172354787e+00 -1.619938290e+00 2.94 -7.435041882e-01 -1.151659457e+00 -1.588624923e+00 2.96 -7.305297647e-01 -1.131313952e+00 -1.557546634e+00 2.98 -7.178079368e-01 -1.111323173e+00 -1.526729834e+00 3.00 -7.053320478e-01 -1.091681409e+00 -1.496203315e+00 3.02 -6.930957000e-01 -1.072376437e+00 -1.465996381e+00 3.04 -6.810927099e-01 -1.053398903e+00 -1.436140760e+00 3.06 -6.693171304e-01 -1.034741925e+00 -1.406673082e+00 3.08 -6.577632285e-01 -1.016400545e+00 -1.377633261e+00 3.10 -6.464254623e-01 -9.983713471e-01 -1.349062427e+00 3.12 -6.352984959e-01 -9.806521672e-01 -1.321000894e+00 3.14 -6.243771767e-01 -9.632416126e-01 -1.293486241e+00 3.16 -6.136565310e-01 -9.461389105e-01 -1.266551579e+00 3.18 -6.031317504e-01 -9.293435011e-01 -1.240223765e+00 3.20 -5.927982010e-01 -9.128548178e-01 -1.214521897e+00 3.22 -5.826513772e-01 -8.966721348e-01 -1.189456099e+00 3.24 -5.726869412e-01 -8.807941289e-01 -1.165025330e+00 3.26 -5.629006853e-01 -8.652190824e-01 -1.141217417e+00 3.28 -5.532885347e-01 -8.499440566e-01 -1.118014382e+00 3.30 -5.438465352e-01 -8.349654864e-01 -1.095396748e+00 3.32 -5.345708547e-01 -8.202784278e-01 -1.073344969e+00 3.34 -5.254577794e-01 -8.058772826e-01 -1.051839179e+00 3.36 -5.165036871e-01 -7.917565091e-01 -1.030859473e+00 3.38 -5.077050725e-01 -7.779104225e-01 -1.010385763e+00 3.40 -4.990585163e-01 -7.643334115e-01 -9.903980246e-01 3.42 -4.905606971e-01 -7.510199257e-01 -9.708765184e-01 3.44 -4.822083770e-01 -7.379643164e-01 -9.518014257e-01 3.46 -4.739984067e-01 -7.251609999e-01 -9.331535697e-01 3.48 -4.659277036e-01 -7.126043038e-01 -9.149137603e-01 3.50 -4.579932762e-01 -7.002885779e-01 -8.970635944e-01 3.52 -4.501921956e-01 -6.882081574e-01 -8.795847891e-01 3.54 -4.425216011e-01 -6.763573012e-01 -8.624599945e-01 3.56 -4.349787019e-01 -6.647303713e-01 -8.456720151e-01 3.58 -4.275607683e-01 -6.533215857e-01 -8.292048291e-01 3.60 -4.202651290e-01 -6.421252705e-01 -8.130424700e-01 3.62 -4.130891753e-01 -6.311357398e-01 -7.971704407e-01 3.64 -4.060303538e-01 -6.203472480e-01 -7.815742893e-01 3.66 -3.990861600e-01 -6.097542202e-01 -7.662408706e-01 3.68 -3.922541470e-01 -5.993509849e-01 -7.511578007e-01 3.70 -3.855319128e-01 -5.891319312e-01 -7.363131313e-01 3.72 -3.789171095e-01 -5.790916355e-01 -7.216965178e-01 3.74 -3.724074310e-01 -5.692245478e-01 -7.072979340e-01 3.76 -3.660006236e-01 -5.595252705e-01 -6.931082160e-01 3.78 -3.596944725e-01 -5.499885963e-01 -6.791198122e-01 3.80 -3.534868089e-01 -5.406092243e-01 -6.653254199e-01 3.82 -3.473755023e-01 -5.313819989e-01 -6.517182139e-01 3.84 -3.413584699e-01 -5.223020187e-01 -6.382932597e-01 3.86 -3.354336636e-01 -5.133643479e-01 -6.250467708e-01 3.88 -3.295990783e-01 -5.045641310e-01 -6.119744594e-01 3.90 -3.238527485e-01 -4.958967907e-01 -5.990729470e-01 3.92 -3.181927438e-01 -4.873578930e-01 -5.863412835e-01 3.94 -3.126171722e-01 -4.789429695e-01 -5.737803661e-01 3.96 -3.071241778e-01 -4.706477787e-01 -5.613910638e-01 3.98 -3.017119426e-01 -4.624683486e-01 -5.491739903e-01 4.00 -2.963786826e-01 -4.544008246e-01 -5.371293057e-01 4.02 -2.911226495e-01 -4.464413719e-01 -5.252578140e-01 4.04 -2.859421311e-01 -4.385863964e-01 -5.135602211e-01 4.06 -2.808354441e-01 -4.308325654e-01 -5.020370594e-01 4.08 -2.758009427e-01 -4.231767911e-01 -4.906884684e-01 4.10 -2.708370131e-01 -4.156159097e-01 -4.795144730e-01 4.12 -2.659420743e-01 -4.081469473e-01 -4.685150262e-01 4.14 -2.611145769e-01 -4.007671581e-01 -4.576899462e-01 4.16 -2.563530050e-01 -3.934742873e-01 -4.470389324e-01 4.18 -2.516558682e-01 -3.862661023e-01 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