# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Kim-K-H-Jeon-J-B-Lee-B-J--Mg-Sn # implementation = 2015--Kim-K-H--Mg-Sn--LAMMPS--ipr1 # composition = Mg3Sn # 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 2022-05-24 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 2.383188435e+02 nan nan 1.06 2.249460088e+02 nan nan 1.08 2.122692227e+02 nan nan 1.10 2.002540198e+02 nan nan 1.12 1.888675783e+02 2.466875331e+02 nan 1.14 1.780786433e+02 2.338629247e+02 nan 1.16 1.678574550e+02 2.216585750e+02 2.718794109e+02 1.18 1.581756789e+02 2.100458458e+02 2.585733200e+02 1.20 1.490063401e+02 1.989973773e+02 2.458734992e+02 1.22 1.403237597e+02 1.884870325e+02 2.337536054e+02 1.24 1.321034953e+02 1.784898437e+02 2.221884001e+02 1.26 1.243222824e+02 1.689819621e+02 2.111537039e+02 1.28 1.169579802e+02 1.599406089e+02 2.006263535e+02 1.30 1.099895191e+02 1.513440285e+02 1.905841605e+02 1.32 1.033968499e+02 1.431714439e+02 1.810058716e+02 1.34 9.716089683e+01 1.354030139e+02 1.718711300e+02 1.36 9.126351131e+01 1.280197923e+02 1.631604394e+02 1.38 8.568742868e+01 1.210036884e+02 1.548551281e+02 1.40 8.041622647e+01 1.143374297e+02 1.469373155e+02 1.42 7.543428476e+01 1.080045260e+02 1.393898799e+02 1.44 7.072674831e+01 1.019892347e+02 1.321964266e+02 1.46 6.627949039e+01 9.627652822e+01 1.253412586e+02 1.48 6.207907833e+01 9.085206227e+01 1.188093477e+02 1.50 5.811274061e+01 8.570214581e+01 1.125863068e+02 1.52 5.436833545e+01 8.081371219e+01 1.066583635e+02 1.54 5.083432092e+01 7.617429146e+01 1.010123346e+02 1.56 4.749972631e+01 7.177198402e+01 9.563560181e+01 1.58 4.435412497e+01 6.759543527e+01 9.051608828e+01 1.60 4.138760824e+01 6.363381147e+01 8.564223615e+01 1.62 3.859076074e+01 5.987677658e+01 8.100298496e+01 1.64 3.595463672e+01 5.631447009e+01 7.658775094e+01 1.66 3.347073751e+01 5.293748586e+01 7.238640720e+01 1.68 3.113099005e+01 4.973685185e+01 6.838926462e+01 1.70 2.892772643e+01 4.670401071e+01 6.458705358e+01 1.72 2.685366429e+01 4.383080127e+01 6.097090645e+01 1.74 2.490188830e+01 4.110944080e+01 5.753234070e+01 1.76 2.306583235e+01 3.853250801e+01 5.426324280e+01 1.78 2.133926264e+01 3.609292688e+01 5.115585271e+01 1.80 1.971626158e+01 3.378395110e+01 4.820274901e+01 1.82 1.819121242e+01 3.159914927e+01 4.539683468e+01 1.84 1.675878461e+01 2.953239068e+01 4.273132339e+01 1.86 1.541391983e+01 2.757783178e+01 4.019972640e+01 1.88 1.415181874e+01 2.572990318e+01 3.779584003e+01 1.90 1.296792826e+01 2.398329726e+01 3.551373351e+01 1.92 1.185792955e+01 2.233295634e+01 3.334773750e+01 1.94 1.081772649e+01 2.077406131e+01 3.129243293e+01 1.96 9.843434757e+00 1.930202081e+01 2.934264045e+01 1.98 8.931371346e+00 1.791246089e+01 2.749341013e+01 2.00 8.078044699e+00 1.660121509e+01 2.574001177e+01 2.02 7.280145203e+00 1.536431500e+01 2.407792549e+01 2.04 6.534536197e+00 1.419798121e+01 2.250283275e+01 2.06 5.838245397e+00 1.309861465e+01 2.101060772e+01 2.08 5.188456717e+00 1.206278840e+01 1.959730907e+01 2.10 4.582502504e+00 1.108723970e+01 1.825917199e+01 2.12 4.017856130e+00 1.016886251e+01 1.699260068e+01 2.14 3.492124939e+00 9.304700236e+00 1.579416101e+01 2.16 3.003043551e+00 8.491938885e+00 1.466057358e+01 2.18 2.548467458e+00 7.727900481e+00 1.358870707e+01 2.20 2.126366963e+00 7.010036788e+00 1.257557181e+01 2.22 1.734821386e+00 6.335923303e+00 1.161831363e+01 2.24 1.372013556e+00 5.703253537e+00 1.071420804e+01 2.26 1.036224583e+00 5.109833529e+00 9.860654556e+00 2.28 7.258288613e-01 4.553576630e+00 9.055171330e+00 2.30 4.392893323e-01 4.032498501e+00 8.295389973e+00 2.32 1.751529723e-01 3.544712356e+00 7.579050612e+00 2.34 -6.795350710e-02 3.088424397e+00 6.903997146e+00 2.36 -2.913277347e-01 2.661929480e+00 6.268172707e+00 2.38 -4.961955737e-01 2.263606953e+00 5.669615308e+00 2.40 -6.837148123e-01 1.891916700e+00 5.106453682e+00 2.42 -8.549786784e-01 1.545395357e+00 4.576903289e+00 2.44 -1.011019189e+00 1.222652696e+00 4.079262497e+00 2.46 -1.152810320e+00 9.223681824e-01 3.611908927e+00 2.48 -1.281271037e+00 6.432876816e-01 3.173295943e+00 2.50 -1.397268168e+00 3.842203171e-01 2.761949306e+00 2.52 -1.501619135e+00 1.440354744e-01 2.376463960e+00 2.54 -1.595094553e+00 -7.834006262e-02 2.015500958e+00 2.56 -1.678420701e+00 -2.839248400e-01 1.677784520e+00 2.58 -1.752281868e+00 -4.736853418e-01 1.362099215e+00 2.60 -1.817322587e+00 -6.485384746e-01 1.067287268e+00 2.62 -1.874149752e+00 -8.093539420e-01 7.922459761e-01 2.64 -1.923334636e+00 -9.569565066e-01 5.359252434e-01 2.66 -1.965414803e+00 -1.092128152e+00 2.973252132e-01 2.68 -2.000895926e+00 -1.215610139e+00 7.549400941e-02 2.70 -2.030253517e+00 -1.328104980e+00 -1.304744284e-01 2.72 -2.053934564e+00 -1.430278302e+00 -3.214424149e-01 2.74 -2.072359090e+00 -1.522760647e+00 -4.982305000e-01 2.76 -2.085921632e+00 -1.606149171e+00 -6.616193636e-01 2.78 -2.094992641e+00 -1.681009273e+00 -8.123516284e-01 2.80 -2.099919819e+00 -1.747876148e+00 -9.511335939e-01 2.82 -2.101029378e+00 -1.807256266e+00 -1.078636894e+00 2.84 -2.098627240e+00 -1.859628784e+00 -1.195500085e+00 2.86 -2.093000174e+00 -1.905446893e+00 -1.302330160e+00 2.88 -2.084416874e+00 -1.945139099e+00 -1.399703999e+00 2.90 -2.073128980e+00 -1.979110450e+00 -1.488169761e+00 2.92 -2.059372048e+00 -2.007743699e+00 -1.568248203e+00 2.94 -2.043366466e+00 -2.031400420e+00 -1.640433952e+00 2.96 -2.025318321e+00 -2.050422065e+00 -1.705196716e+00 2.98 -2.005420226e+00 -2.065130978e+00 -1.762982441e+00 3.00 -1.983852099e+00 -2.075831354e+00 -1.814214423e+00 3.02 -1.960781895e+00 -2.082810164e+00 -1.859294358e+00 3.04 -1.936366311e+00 -2.086338023e+00 -1.898603362e+00 3.06 -1.910751440e+00 -2.086670028e+00 -1.932502932e+00 3.08 -1.884073399e+00 -2.084046551e+00 -1.961335872e+00 3.10 -1.856458919e+00 -2.078693994e+00 -1.985427172e+00 3.12 -1.828025899e+00 -2.070825516e+00 -2.005084856e+00 3.14 -1.798883938e+00 -2.060641713e+00 -2.020600784e+00 3.16 -1.769134829e+00 -2.048331274e+00 -2.032251419e+00 3.18 -1.738873032e+00 -2.034071607e+00 -2.040298567e+00 3.20 -1.708186115e+00 -2.018029426e+00 -2.044990073e+00 3.22 -1.677155175e+00 -2.000361320e+00 -2.046560496e+00 3.24 -1.645855234e+00 -1.981214289e+00 -2.045231745e+00 3.26 -1.614355610e+00 -1.960726255e+00 -2.041213689e+00 3.28 -1.582720269e+00 -1.939026544e+00 -2.034704744e+00 3.30 -1.551008159e+00 -1.916236357e+00 -2.025892428e+00 3.32 -1.519273520e+00 -1.892469203e+00 -2.014953888e+00 3.34 -1.487566182e+00 -1.867831317e+00 -2.002056413e+00 3.36 -1.455931839e+00 -1.842422062e+00 -1.987357916e+00 3.38 -1.424412315e+00 -1.816334304e+00 -1.971007393e+00 3.40 -1.393045808e+00 -1.789654770e+00 -1.953145365e+00 3.42 -1.361867122e+00 -1.762464391e+00 -1.933904300e+00 3.44 -1.330907888e+00 -1.734838623e+00 -1.913409012e+00 3.46 -1.300196771e+00 -1.706847756e+00 -1.891777042e+00 3.48 -1.269759660e+00 -1.678557206e+00 -1.869119027e+00 3.50 -1.239619855e+00 -1.650027789e+00 -1.845539041e+00 3.52 -1.209798236e+00 -1.621315987e+00 -1.821134932e+00 3.54 -1.180313427e+00 -1.592474193e+00 -1.795998637e+00 3.56 -1.151181950e+00 -1.563550950e+00 -1.770216481e+00 3.58 -1.122418364e+00 -1.534591172e+00 -1.743869466e+00 3.60 -1.094035406e+00 -1.505636356e+00 -1.717033544e+00 3.62 -1.066044112e+00 -1.476724785e+00 -1.689779877e+00 3.64 -1.038453943e+00 -1.447891784e+00 -1.662175089e+00 3.66 -1.011272893e+00 -1.419170091e+00 -1.634281497e+00 3.68 -9.845076007e-01 -1.390588953e+00 -1.606157339e+00 3.70 -9.581634422e-01 -1.362175269e+00 -1.577856992e+00 3.72 -9.322446314e-01 -1.333954293e+00 -1.549431171e+00 3.74 -9.067543062e-01 -1.305948658e+00 -1.520927126e+00 3.76 -8.816946120e-01 -1.278178910e+00 -1.492388828e+00 3.78 -8.570667808e-01 -1.250663641e+00 -1.463857146e+00 3.80 -8.328712053e-01 -1.223419607e+00 -1.435370012e+00 3.82 -8.091075085e-01 -1.196461843e+00 -1.406962582e+00 3.84 -7.857746096e-01 -1.169803775e+00 -1.378667389e+00 3.86 -7.628707858e-01 -1.143457314e+00 -1.350514488e+00 3.88 -7.403937309e-01 -1.117432962e+00 -1.322531592e+00 3.90 -7.183406103e-01 -1.091739896e+00 -1.294744201e+00 3.92 -6.967081127e-01 -1.066386058e+00 -1.267175733e+00 3.94 -6.754924991e-01 -1.041378232e+00 -1.239847632e+00 3.96 -6.546896489e-01 -1.016722125e+00 -1.212779492e+00 3.98 -6.342951030e-01 -9.924224374e-01 -1.185989155e+00 4.00 -6.143041051e-01 -9.684829307e-01 -1.159492814e+00 4.02 -5.947116401e-01 -9.449064926e-01 -1.133305113e+00 4.04 -5.755124704e-01 -9.216951981e-01 -1.107439237e+00 4.06 -5.567011701e-01 -8.988503667e-01 -1.081906995e+00 4.08 -5.382721571e-01 -8.763726170e-01 -1.056718909e+00 4.10 -5.202197235e-01 -8.542619185e-01 -1.031884286e+00 4.12 -5.025380642e-01 -8.325176400e-01 -1.007411298e+00 4.14 -4.852213033e-01 -8.111385959e-01 -9.833070478e-01 4.16 -4.682635195e-01 -7.901230903e-01 -9.595776392e-01 4.18 -4.516587695e-01 -7.694689585e-01 -9.362292447e-01 4.20 -4.354011099e-01 -7.491736066e-01 -9.134066049e-01 4.22 -4.194846180e-01 -7.292340493e-01 -8.917852548e-01 4.24 -4.039034107e-01 -7.096469460e-01 -8.712786325e-01 4.26 -3.886516622e-01 -6.904086348e-01 -8.494995256e-01 4.28 -3.737236207e-01 -6.715151658e-01 -8.280576788e-01 4.30 -3.591136231e-01 -6.529623326e-01 -8.070102407e-01 4.32 -3.448161095e-01 -6.347457026e-01 -7.863573628e-01 4.34 -3.308256349e-01 -6.168606460e-01 -7.660986597e-01 4.36 -3.171368815e-01 -5.993023642e-01 -7.462332482e-01 4.38 -3.037446683e-01 -5.820659174e-01 -7.267597836e-01 4.40 -2.906439603e-01 -5.651462504e-01 -7.076764950e-01 4.42 -2.778298761e-01 -5.485382186e-01 -6.889812178e-01 4.44 -2.652976947e-01 -5.322366130e-01 -6.706714250e-01 4.46 -2.530428608e-01 -5.162361844e-01 -6.527442561e-01 4.48 -2.410609891e-01 -5.005316672e-01 -6.351965451e-01 4.50 -2.293478675e-01 -4.851178025e-01 -6.180248464e-01 4.52 -2.178994588e-01 -4.699893604e-01 -6.012254595e-01 4.54 -2.067119016e-01 -4.551411626e-01 -5.847944520e-01 4.56 -1.957815101e-01 -4.405681032e-01 -5.687276816e-01 4.58 -1.851047723e-01 -4.262651699e-01 -5.530208164e-01 4.60 -1.746783477e-01 -4.122274644e-01 -5.376693545e-01 4.62 -1.644990634e-01 -3.984502213e-01 -5.226686419e-01 4.64 -1.545639095e-01 -3.849288274e-01 -5.080138899e-01 4.66 -1.448700332e-01 -3.716588393e-01 -4.937001908e-01 4.68 -1.354147320e-01 -3.586360006e-01 -4.797225329e-01 4.70 -1.261954461e-01 -3.458562575e-01 -4.660758149e-01 4.72 -1.172097496e-01 -3.333157735e-01 -4.527548591e-01 4.74 -1.084553411e-01 -3.210109425e-01 -4.397544234e-01 4.76 -9.993003343e-02 -3.089384011e-01 -4.270692130e-01 4.78 -9.163174273e-02 -2.970950378e-01 -4.146938917e-01 4.80 -8.355847681e-02 -2.854780018e-01 -4.026230911e-01 4.82 -7.570857225e-02 -2.740847092e-01 -3.908514208e-01 4.84 -6.939025164e-02 -2.629128463e-01 -3.793734767e-01 4.86 -7.689258327e-02 -2.519603720e-01 -3.681838495e-01 4.88 -1.161506722e-01 -2.412255164e-01 -3.572771318e-01 4.90 -1.141014417e-01 -2.307067772e-01 -3.466479259e-01 4.92 -1.097845614e-01 -2.204029138e-01 -3.362908495e-01 4.94 -1.056061518e-01 -2.103129381e-01 -3.262005424e-01 4.96 -1.015623208e-01 -2.004361022e-01 -3.163716719e-01 4.98 -9.764927273e-02 -1.907718842e-01 -3.067989377e-01 5.00 -9.386330708e-02 -1.813199703e-01 -2.974770772e-01 5.02 -9.020081738e-02 -1.720802343e-01 -2.884008693e-01 5.04 -8.665828977e-02 -1.630527153e-01 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-7.084059258e-02 -1.560945390e-01 5.42 -4.478490736e-02 -6.739428465e-02 -1.509253756e-01 5.44 -4.396081240e-02 -6.407435502e-02 -1.459065797e-01 5.46 -4.315461301e-02 -6.087488497e-02 -1.410344117e-01 5.48 -4.236593694e-02 -5.779040628e-02 -1.363052077e-01 5.50 -4.159441836e-02 -5.481586774e-02 -1.317153792e-01 5.52 -4.083969783e-02 -5.194660147e-02 -1.272614126e-01 5.54 -4.010142226e-02 -4.917828982e-02 -1.229398691e-01 5.56 -3.937924493e-02 -4.650693348e-02 -1.187473837e-01 5.58 -3.867282541e-02 -4.392882109e-02 -1.146806651e-01 5.60 -3.798182950e-02 -4.144050077e-02 -1.107364947e-01 5.62 -3.730592925e-02 -3.903875363e-02 -1.069117265e-01 5.64 -3.664480287e-02 -3.672056954e-02 -1.032032855e-01 5.66 -3.599813466e-02 -3.448312504e-02 -9.960816788e-02 5.68 -3.536561500e-02 -3.232376343e-02 -9.612343936e-02 5.70 -3.474694024e-02 -3.023997699e-02 -9.274623489e-02 5.72 -3.414181268e-02 -2.822939117e-02 -8.947375745e-02 5.74 -3.354994048e-02 -2.628975066e-02 -8.630327726e-02 5.76 -3.297103758e-02 -2.441890717e-02 -8.323213069e-02 5.78 -3.240482368e-02 -2.261480882e-02 -8.025771931e-02 5.80 -3.185102410e-02 -2.087549084e-02 -7.737750882e-02 5.82 -3.130936976e-02 -1.919906764e-02 -7.458902794e-02 5.84 -3.077959708e-02 -1.758372591e-02 -7.188986736e-02 5.86 -3.026144791e-02 -1.602771869e-02 -6.927767856e-02 5.88 -2.975466943e-02 -1.452936030e-02 -6.675017265e-02 5.90 -2.925901411e-02 -1.308702194e-02 -6.430511916e-02 5.92 -2.871888337e-02 -1.186779604e-02 -6.215373358e-02 5.94 -2.742813518e-02 -1.297387387e-02 -6.289094247e-02 5.96 -2.344460240e-02 -2.007105354e-02 -6.982361962e-02 5.98 -1.360970692e-02 -2.544889585e-02 -6.454338853e-02 6.00 -4.752427326e-23 -1.775557596e-22 -1.305692572e-22