# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Tseplyaev-V-I-Starikov-S-V--U-N # implementation = 2016--Tseplyaev-V-I--U-N--LAMMPS--ipr1 # composition = N3U # 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 3.117502534e+02 nan nan 0.98 2.689868443e+02 nan nan 1.00 2.340531876e+02 nan nan 1.02 2.051842626e+02 nan nan 1.04 1.814390406e+02 nan nan 1.06 1.614776682e+02 2.799121322e+02 nan 1.08 1.443243088e+02 2.459628913e+02 4.139876715e+02 1.10 1.296377418e+02 2.175808717e+02 3.580649768e+02 1.12 1.168649583e+02 1.937288611e+02 3.119461964e+02 1.14 1.057385445e+02 1.734748630e+02 2.736702157e+02 1.16 9.575618630e+01 1.560742369e+02 2.415012228e+02 1.18 8.733902675e+01 1.409438892e+02 2.144580022e+02 1.20 7.989165542e+01 1.277461193e+02 1.914239916e+02 1.22 7.312802871e+01 1.161975634e+02 1.718085091e+02 1.24 6.691499330e+01 1.057344931e+02 1.549560905e+02 1.26 6.124750968e+01 9.691120853e+01 1.405669601e+02 1.28 5.611319368e+01 8.911160114e+01 1.281010405e+02 1.30 5.139255420e+01 8.198352543e+01 1.170662293e+02 1.32 4.724807247e+01 7.545302372e+01 1.071179551e+02 1.34 4.356835003e+01 6.954434220e+01 9.820930406e+01 1.36 4.024374026e+01 6.420925408e+01 9.016134373e+01 1.38 3.719306732e+01 5.937513285e+01 8.284969273e+01 1.40 3.437830333e+01 5.493462220e+01 7.619113745e+01 1.42 3.180385746e+01 5.082424087e+01 6.988552631e+01 1.44 2.945053006e+01 4.698189379e+01 6.438579136e+01 1.46 2.721066776e+01 4.323973411e+01 5.905974679e+01 1.48 2.520540077e+01 3.979816560e+01 5.444601472e+01 1.50 2.329184779e+01 3.650989018e+01 5.013411035e+01 1.52 2.147554687e+01 3.340614378e+01 4.613584067e+01 1.54 1.973381172e+01 3.052974645e+01 4.241916942e+01 1.56 1.802600227e+01 2.788119889e+01 3.893198476e+01 1.58 1.632504637e+01 2.543516415e+01 3.563888088e+01 1.60 1.462978498e+01 2.315371892e+01 3.251371398e+01 1.62 1.295512298e+01 2.100058827e+01 2.961183807e+01 1.64 1.123043619e+01 1.895265734e+01 2.688018337e+01 1.66 9.617245056e+00 1.700220902e+01 2.430862750e+01 1.68 8.013208480e+00 1.514325358e+01 2.188479073e+01 1.70 5.971871519e+00 1.337292615e+01 1.959561086e+01 1.72 4.211958245e+00 1.170376897e+01 1.742785201e+01 1.74 2.732913497e+00 1.003123694e+01 1.539022152e+01 1.76 1.415997021e+00 8.452662602e+00 1.352820368e+01 1.78 1.333452777e-01 6.991900257e+00 1.182994277e+01 1.80 -1.026353544e+00 5.637422646e+00 1.027760044e+01 1.82 -2.100083868e+00 4.389522195e+00 8.864301850e+00 1.84 -3.104076824e+00 3.258450638e+00 7.571973875e+00 1.86 -4.008383884e+00 2.239038210e+00 6.379807454e+00 1.88 -4.791360706e+00 1.044020147e+00 5.157197637e+00 1.90 -5.451211180e+00 -5.111145363e-02 3.622080827e+00 1.92 -5.990396886e+00 -1.067076005e+00 2.336714513e+00 1.94 -6.416806095e+00 -1.961982431e+00 1.250429867e+00 1.96 -6.744851963e+00 -2.771975914e+00 3.077064640e-01 1.98 -6.993205844e+00 -3.508841046e+00 -5.176831940e-01 2.00 -7.179549633e+00 -4.165242407e+00 -1.230376073e+00 2.02 -7.343027548e+00 -4.808791523e+00 -1.950327300e+00 2.04 -7.447972496e+00 -5.337948791e+00 -2.638231531e+00 2.06 -7.520600494e+00 -5.810865431e+00 -3.262741507e+00 2.08 -7.563593645e+00 -6.228299236e+00 -3.829921469e+00 2.10 -7.581442298e+00 -6.582271614e+00 -4.320341859e+00 2.12 -7.581986787e+00 -6.882599106e+00 -4.742993253e+00 2.14 -7.570143925e+00 -7.139891075e+00 -5.109154640e+00 2.16 -7.550591863e+00 -7.363103288e+00 -5.428708923e+00 2.18 -7.528053315e+00 -7.559659632e+00 -5.708600555e+00 2.20 -7.506290641e+00 -7.733977342e+00 -5.954525896e+00 2.22 -7.484666562e+00 -7.880148437e+00 -6.168651255e+00 2.24 -7.464960874e+00 -7.997858978e+00 -6.352637032e+00 2.26 -7.449179020e+00 -8.088242343e+00 -6.511301557e+00 2.28 -7.445145684e+00 -8.151741599e+00 -6.650531982e+00 2.30 -7.433783033e+00 -8.188703542e+00 -6.775440190e+00 2.32 -7.407550256e+00 -8.201246217e+00 -6.890351709e+00 2.34 -7.357369704e+00 -8.192968591e+00 -7.000282012e+00 2.36 -7.282518592e+00 -8.168683806e+00 -7.105860232e+00 2.38 -7.184754769e+00 -8.133881932e+00 -7.190044750e+00 2.40 -7.066939968e+00 -8.092425650e+00 -7.253436366e+00 2.42 -6.929587513e+00 -8.041683670e+00 -7.298078138e+00 2.44 -6.772084287e+00 -7.979807562e+00 -7.327709152e+00 2.46 -6.595705330e+00 -7.911112167e+00 -7.346839278e+00 2.48 -6.404123366e+00 -7.834601665e+00 -7.360404503e+00 2.50 -6.202101945e+00 -7.744897029e+00 -7.372159366e+00 2.52 -5.993530902e+00 -7.641743639e+00 -7.380231069e+00 2.54 -5.781874101e+00 -7.524972828e+00 -7.380974982e+00 2.56 -5.570471110e+00 -7.395046289e+00 -7.369700023e+00 2.58 -5.363025125e+00 -7.253575863e+00 -7.344766738e+00 2.60 -5.162592985e+00 -7.102987092e+00 -7.305907051e+00 2.62 -4.970495007e+00 -6.946538122e+00 -7.253260221e+00 2.64 -4.787360927e+00 -6.788986840e+00 -7.187091318e+00 2.66 -4.611773116e+00 -6.634215251e+00 -7.107553923e+00 2.68 -4.439441743e+00 -6.484189992e+00 -7.014526674e+00 2.70 -4.270453560e+00 -6.338805160e+00 -6.910005447e+00 2.72 -4.104934974e+00 -6.196238351e+00 -6.796599937e+00 2.74 -3.944188224e+00 -6.056255309e+00 -6.676547198e+00 2.76 -3.790534117e+00 -5.918620367e+00 -6.551820858e+00 2.78 -3.646012562e+00 -5.781872102e+00 -6.426636666e+00 2.80 -3.508857837e+00 -5.644272720e+00 -6.294742216e+00 2.82 -3.379928572e+00 -5.505072467e+00 -6.150666286e+00 2.84 -3.260540837e+00 -5.363906838e+00 -5.994298986e+00 2.86 -3.151780570e+00 -5.220927100e+00 -5.825378463e+00 2.88 -3.054829934e+00 -5.076179860e+00 -5.643723484e+00 2.90 -2.970920592e+00 -4.929419954e+00 -5.449708401e+00 2.92 -2.901236351e+00 -4.779988737e+00 -5.244729366e+00 2.94 -2.846100901e+00 -4.628597333e+00 -5.031607537e+00 2.96 -2.805015777e+00 -4.476903962e+00 -4.814217101e+00 2.98 -2.777500889e+00 -4.326124437e+00 -4.597353186e+00 3.00 -2.763084958e+00 -4.177518927e+00 -4.386272729e+00 3.02 -2.760764203e+00 -4.032531673e+00 -4.186463247e+00 3.04 -2.768639696e+00 -3.892910999e+00 -4.003362077e+00 3.06 -2.784379246e+00 -3.760997345e+00 -3.840170855e+00 3.08 -2.805344145e+00 -3.639374481e+00 -3.697176447e+00 3.10 -2.828964503e+00 -3.529717460e+00 -3.573829346e+00 3.12 -2.851860096e+00 -3.430769824e+00 -3.465324269e+00 3.14 -2.871772585e+00 -3.341624467e+00 -3.367287290e+00 3.16 -2.887884925e+00 -3.262487079e+00 -3.277449243e+00 3.18 -2.900322270e+00 -3.193543243e+00 -3.193423532e+00 3.20 -2.909519075e+00 -3.135375195e+00 -3.112762582e+00 3.22 -2.915887676e+00 -3.089037170e+00 -3.033058174e+00 3.24 -2.920097160e+00 -3.054932161e+00 -2.953602526e+00 3.26 -2.923147305e+00 -3.027311004e+00 -2.875769794e+00 3.28 -2.925764412e+00 -3.003378399e+00 -2.801213180e+00 3.30 -2.928089345e+00 -2.982787493e+00 -2.731923831e+00 3.32 -2.930316388e+00 -2.965140711e+00 -2.669968701e+00 3.34 -2.927088909e+00 -2.949992482e+00 -2.617386924e+00 3.36 -2.917054455e+00 -2.936787938e+00 -2.576101889e+00 3.38 -2.900203805e+00 -2.924391023e+00 -2.547214045e+00 3.40 -2.876558642e+00 -2.911316756e+00 -2.531331160e+00 3.42 -2.845931645e+00 -2.896053524e+00 -2.528391850e+00 3.44 -2.807725786e+00 -2.877531078e+00 -2.537250173e+00 3.46 -2.761141430e+00 -2.855013061e+00 -2.556615564e+00 3.48 -2.705607562e+00 -2.828282097e+00 -2.585180992e+00 3.50 -2.640739937e+00 -2.797462909e+00 -2.621658754e+00 3.52 -2.566120224e+00 -2.762771953e+00 -2.664938837e+00 3.54 -2.481343150e+00 -2.724523545e+00 -2.714021597e+00 3.56 -2.386008756e+00 -2.683138197e+00 -2.767947966e+00 3.58 -2.280055913e+00 -2.639138286e+00 -2.825890523e+00 3.60 -2.164893442e+00 -2.593140676e+00 -2.883253474e+00 3.62 -2.042294224e+00 -2.545824484e+00 -2.935516302e+00 3.64 -1.913977145e+00 -2.497865018e+00 -2.981642173e+00 3.66 -1.781712210e+00 -2.449919233e+00 -3.020608646e+00 3.68 -1.647326327e+00 -2.402740238e+00 -3.051566628e+00 3.70 -1.512722471e+00 -2.357653626e+00 -3.074541608e+00 3.72 -1.379858831e+00 -2.316166105e+00 -3.089841392e+00 3.74 -1.250733140e+00 -2.279487306e+00 -3.097567787e+00 3.76 -1.127376679e+00 -2.247690084e+00 -3.097628137e+00 3.78 -1.011836432e+00 -2.220529244e+00 -3.089909769e+00 3.80 -9.060719040e-01 -2.197524265e+00 -3.074284253e+00 3.82 -8.119898803e-01 -2.175249117e+00 -3.050608757e+00 3.84 -7.314906556e-01 -2.152057119e+00 -3.018725067e+00 3.86 -6.660838024e-01 -2.127294536e+00 -2.978462862e+00 3.88 -6.151953019e-01 -2.100301666e+00 -2.929636352e+00 3.90 -5.775312419e-01 -2.070415268e+00 -2.872039918e+00 3.92 -5.517736838e-01 -2.036971178e+00 -2.805446832e+00 3.94 -5.365884302e-01 -1.999306576e+00 -2.729610962e+00 3.96 -5.306324255e-01 -1.956761187e+00 -2.644394530e+00 3.98 -5.325590181e-01 -1.908678317e+00 -2.549839962e+00 4.00 -5.410158701e-01 -1.854564006e+00 -2.446234962e+00 4.02 -5.546354100e-01 -1.794672676e+00 -2.334645018e+00 4.04 -5.720647136e-01 -1.729766196e+00 -2.216325111e+00 4.06 -5.920558461e-01 -1.660656653e+00 -2.092565931e+00 4.08 -6.134136037e-01 -1.588167710e+00 -1.964697131e+00 4.10 -6.349505129e-01 -1.513137738e+00 -1.834088662e+00 4.12 -6.554814535e-01 -1.436416317e+00 -1.702151924e+00 4.14 -6.739114261e-01 -1.358865815e+00 -1.570337250e+00 4.16 -6.899578358e-01 -1.281359943e+00 -1.440133749e+00 4.18 -7.037456892e-01 -1.204781039e+00 -1.313045818e+00 4.20 -7.153960372e-01 -1.130020662e+00 -1.190564135e+00 4.22 -7.250250163e-01 -1.057976530e+00 -1.074184539e+00 4.24 -7.327445346e-01 -9.895507719e-01 -9.654134717e-01 4.26 -7.386664263e-01 -9.256481662e-01 -8.657628895e-01 4.28 -7.429005308e-01 -8.671789478e-01 -7.767462564e-01 4.30 -7.455431414e-01 -8.151327015e-01 -6.998706071e-01 4.32 -7.466138033e-01 -7.701288140e-01 -6.359795178e-01 4.34 -7.461095254e-01 -7.318779514e-01 -5.845405306e-01 4.36 -7.440268285e-01 -6.999708055e-01 -5.448302488e-01 4.38 -7.403613333e-01 -6.739921795e-01 -5.161078299e-01 4.40 -7.351077396e-01 -6.535226928e-01 -4.968534571e-01 4.42 -7.282657374e-01 -6.381403014e-01 -4.853673654e-01 4.44 -7.199318888e-01 -6.274221557e-01 -4.807792328e-01 4.46 -7.102823223e-01 -6.209457256e-01 -4.822203485e-01 4.48 -6.994951233e-01 -6.182890999e-01 -4.888195530e-01 4.50 -6.877485012e-01 -6.190328867e-01 -4.997058594e-01 4.52 -6.752206537e-01 -6.227584227e-01 -5.140084938e-01 4.54 -6.620909590e-01 -6.290506339e-01 -5.308587994e-01 4.56 -6.485437396e-01 -6.374600777e-01 -5.493901923e-01 4.58 -6.347915130e-01 -6.473185031e-01 -5.687392533e-01 4.60 -6.210552380e-01 -6.578818617e-01 -5.880439470e-01 4.62 -6.075576966e-01 -6.684169709e-01 -6.064464225e-01 4.64 -5.945126322e-01 -6.784193760e-01 -6.234532695e-01 4.66 -5.821223071e-01 -6.876858840e-01 -6.390251557e-01 4.68 -5.705882147e-01 -6.960319428e-01 -6.531487572e-01 4.70 -5.601075517e-01 -7.032711607e-01 -6.658077485e-01 4.72 -5.506583407e-01 -7.092171324e-01 -6.769862501e-01 4.74 -5.419452494e-01 -7.136812320e-01 -6.866664115e-01 4.76 -5.336552888e-01 -7.164756802e-01 -6.948330834e-01 4.78 -5.254745095e-01 -7.174113339e-01 -7.014709864e-01 4.80 -5.170882607e-01 -7.162984549e-01 -7.065680165e-01 4.82 -5.082172501e-01 -7.129468787e-01 -7.101146319e-01 4.84 -4.987252244e-01 -7.072495344e-01 -7.121010776e-01 4.86 -4.885117811e-01 -6.993118622e-01 -7.125164505e-01 4.88 -4.774762450e-01 -6.892735450e-01 -7.113507663e-01 4.90 -4.655180711e-01 -6.772728018e-01 -7.085912717e-01 4.92 -4.525367095e-01 -6.634044589e-01 -7.042259680e-01 4.94 -4.384323918e-01 -6.478095248e-01 -6.982479958e-01 4.96 -4.230582773e-01 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