# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Choi-W-M-Kim-Y-Seol-D-Lee-B-J--Mn-Ni # implementation = 2017--Choi-W-M--Mn-Ni--LAMMPS--ipr1 # composition = MnNi3 # 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 5.543547486e+02 nan nan 0.80 5.178311154e+02 nan nan 0.82 4.835467365e+02 nan nan 0.84 4.513528433e+02 5.175439937e+02 nan 0.86 4.211120872e+02 4.859110336e+02 4.767100215e+02 0.88 3.926979574e+02 4.561307997e+02 4.465535227e+02 0.90 3.659941794e+02 4.280905139e+02 4.181915097e+02 0.92 3.408940849e+02 4.016841644e+02 3.915211815e+02 0.94 3.172999470e+02 3.768121465e+02 3.664454578e+02 0.96 2.951222824e+02 3.533809422e+02 3.428726692e+02 0.98 2.742791245e+02 3.313028310e+02 3.207162624e+02 1.00 2.546952799e+02 3.104956286e+02 2.998945221e+02 1.02 2.363015824e+02 2.908824437e+02 2.803303070e+02 1.04 2.190341613e+02 2.723914488e+02 2.619508000e+02 1.06 2.028337412e+02 2.549556569e+02 2.446872725e+02 1.08 1.876449918e+02 2.385126992e+02 2.284748598e+02 1.10 1.734159388e+02 2.230045992e+02 2.132523505e+02 1.12 1.600974486e+02 2.083775380e+02 1.989619848e+02 1.14 1.476427922e+02 1.945816100e+02 1.855492662e+02 1.16 1.360072890e+02 1.815705668e+02 1.729627808e+02 1.18 1.251480294e+02 1.693015518e+02 1.611540286e+02 1.20 1.150236691e+02 1.577348264e+02 1.500772619e+02 1.22 1.055942870e+02 1.468334921e+02 1.396893340e+02 1.24 9.682129671e+01 1.365632131e+02 1.299495548e+02 1.26 8.866739986e+01 1.268919451e+02 1.208195551e+02 1.28 8.109657178e+01 1.177896749e+02 1.122631580e+02 1.30 7.407406846e+01 1.092281769e+02 1.042462567e+02 1.32 6.756644667e+01 1.011807900e+02 9.673669984e+01 1.34 6.154158966e+01 9.362221834e+01 8.970418219e+01 1.36 5.596873292e+01 8.652835951e+01 8.312014211e+01 1.38 5.081848562e+01 7.987615848e+01 7.695766384e+01 1.40 4.606284494e+01 7.364348939e+01 7.119138560e+01 1.42 4.167520158e+01 6.780906215e+01 6.579741246e+01 1.44 3.763033578e+01 6.235235240e+01 6.075323411e+01 1.46 3.390440370e+01 5.725355131e+01 5.603764698e+01 1.48 3.047491492e+01 5.249353235e+01 5.163068078e+01 1.50 2.732070184e+01 4.805383132e+01 4.751352895e+01 1.52 2.442188204e+01 4.391663645e+01 4.366848296e+01 1.54 2.175981494e+01 4.006478552e+01 4.007887026e+01 1.56 1.931705396e+01 3.648176718e+01 3.672899558e+01 1.58 1.707729528e+01 3.315172434e+01 3.360408554e+01 1.60 1.502532434e+01 3.005945767e+01 3.069023621e+01 1.62 1.314696103e+01 2.719042802e+01 2.797436369e+01 1.64 1.142900441e+01 2.453075662e+01 2.544415734e+01 1.66 9.859177694e+00 2.206722256e+01 2.308803564e+01 1.68 8.426074006e+00 1.978725717e+01 2.089510448e+01 1.70 7.119103450e+00 1.767893535e+01 1.885511777e+01 1.72 5.928441828e+00 1.573096386e+01 1.695844028e+01 1.74 4.844981273e+00 1.393266675e+01 1.519601245e+01 1.76 3.860283000e+00 1.227396851e+01 1.355931735e+01 1.78 2.966532295e+00 1.074537501e+01 1.204034923e+01 1.80 2.156495817e+00 9.337952848e+00 1.063158411e+01 1.82 1.423481232e+00 8.043307367e+00 9.325951752e+00 1.84 7.612991825e-01 6.853559773e+00 8.116809446e+00 1.86 1.642275310e-01 5.761323671e+00 6.997917085e+00 1.88 -3.730221532e-01 4.759681342e+00 5.963413755e+00 1.90 -8.553359680e-01 3.842159995e+00 5.007795595e+00 1.92 -1.287226984e+00 3.002708250e+00 4.125894926e+00 1.94 -1.672862580e+00 2.235673032e+00 3.312860562e+00 1.96 -2.016089913e+00 1.535777018e+00 2.564139225e+00 1.98 -2.320459613e+00 8.980967764e-01 1.875458034e+00 2.00 -2.589247827e+00 3.180416652e-01 1.242807967e+00 2.02 -2.825476675e+00 -2.086664090e-01 6.624282968e-01 2.04 -3.031933263e+00 -6.860123716e-01 1.307918739e-01 2.06 -3.211187304e+00 -1.117706427e+00 -3.554087056e-01 2.08 -3.365607466e+00 -1.507201603e+00 -7.992741754e-01 2.10 -3.497376523e+00 -1.857710362e+00 -1.203710900e+00 2.12 -3.608505392e+00 -2.172220309e+00 -1.571442484e+00 2.14 -3.700846138e+00 -2.453509012e+00 -1.905020705e+00 2.16 -3.776104009e+00 -2.704157949e+00 -2.206835814e+00 2.18 -3.835848585e+00 -2.926565636e+00 -2.479126254e+00 2.20 -3.881524097e+00 -3.122959939e+00 -2.723987795e+00 2.22 -3.914458972e+00 -3.295409629e+00 -2.943382161e+00 2.24 -3.935874668e+00 -3.445835203e+00 -3.139145133e+00 2.26 -3.946893854e+00 -3.576019021e+00 -3.312994207e+00 2.28 -3.948547966e+00 -3.687614770e+00 -3.466535776e+00 2.30 -3.941784204e+00 -3.782156331e+00 -3.601271919e+00 2.32 -3.927472008e+00 -3.861066044e+00 -3.718606768e+00 2.34 -3.906409036e+00 -3.925662433e+00 -3.819852526e+00 2.36 -3.879326706e+00 -3.977167414e+00 -3.906235108e+00 2.38 -3.846895308e+00 -4.016713019e+00 -3.978899465e+00 2.40 -3.809728746e+00 -4.045347667e+00 -4.038914589e+00 2.42 -3.768388906e+00 -4.064042005e+00 -4.087278219e+00 2.44 -3.723389712e+00 -4.073694362e+00 -4.124921271e+00 2.46 -3.675200861e+00 -4.075135826e+00 -4.152712007e+00 2.48 -3.624251287e+00 -4.069134970e+00 -4.171459948e+00 2.50 -3.570932358e+00 -4.056402264e+00 -4.181919562e+00 2.52 -3.515600832e+00 -4.037594178e+00 -4.184793726e+00 2.54 -3.458581587e+00 -4.013317004e+00 -4.180736982e+00 2.56 -3.400170151e+00 -3.984130418e+00 -4.170358597e+00 2.58 -3.340635031e+00 -3.950550791e+00 -4.154225441e+00 2.60 -3.280219873e+00 -3.913054279e+00 -4.132864685e+00 2.62 -3.219145452e+00 -3.872079694e+00 -4.106766345e+00 2.64 -3.157611513e+00 -3.828031179e+00 -4.076385662e+00 2.66 -3.095798470e+00 -3.781280697e+00 -4.042145343e+00 2.68 -3.033868980e+00 -3.732170347e+00 -4.004437665e+00 2.70 -2.971969388e+00 -3.681014523e+00 -3.963626449e+00 2.72 -2.910231066e+00 -3.628101916e+00 -3.920048913e+00 2.74 -2.848771653e+00 -3.573697387e+00 -3.874017410e+00 2.76 -2.787696190e+00 -3.518043697e+00 -3.825821063e+00 2.78 -2.727098176e+00 -3.461363131e+00 -3.775729028e+00 2.80 -2.667060537e+00 -3.403858996e+00 -3.724004015e+00 2.82 -2.607656523e+00 -3.345717019e+00 -3.670888805e+00 2.84 -2.548950532e+00 -3.287106652e+00 -3.616523226e+00 2.86 -2.490998871e+00 -3.228182278e+00 -3.561126894e+00 2.88 -2.433850460e+00 -3.169084336e+00 -3.504892051e+00 2.90 -2.377547479e+00 -3.109940367e+00 -3.447983138e+00 2.92 -2.322125958e+00 -3.050865986e+00 -3.390551257e+00 2.94 -2.267616332e+00 -2.991965785e+00 -3.332735077e+00 2.96 -2.214043944e+00 -2.933334174e+00 -3.274661691e+00 2.98 -2.161429508e+00 -2.875056156e+00 -3.216447418e+00 3.00 -2.109789537e+00 -2.817208059e+00 -3.158198552e+00 3.02 -2.059136738e+00 -2.759858201e+00 -3.100012061e+00 3.04 -2.009480371e+00 -2.703067522e+00 -3.041976249e+00 3.06 -1.960826583e+00 -2.646890160e+00 -2.984171362e+00 3.08 -1.913178712e+00 -2.591373989e+00 -2.926670171e+00 3.10 -1.866537567e+00 -2.536561122e+00 -2.869538500e+00 3.12 -1.820901685e+00 -2.482488372e+00 -2.812835736e+00 3.14 -1.776267568e+00 -2.429187684e+00 -2.756615292e+00 3.16 -1.732629895e+00 -2.376686530e+00 -2.700925048e+00 3.18 -1.689981724e+00 -2.325008284e+00 -2.645807760e+00 3.20 -1.648280647e+00 -2.274172560e+00 -2.591301441e+00 3.22 -1.605692943e+00 -2.224195532e+00 -2.537439718e+00 3.24 -1.533781392e+00 -2.175090227e+00 -2.484252166e+00 3.26 -1.359283762e+00 -2.126866796e+00 -2.431764617e+00 3.28 -1.304001298e+00 -2.079532768e+00 -2.379999450e+00 3.30 -1.269621639e+00 -2.033093281e+00 -2.328975862e+00 3.32 -1.236061222e+00 -1.987551298e+00 -2.278710117e+00 3.34 -1.203307715e+00 -1.942907808e+00 -2.229215781e+00 3.36 -1.171348269e+00 -1.899162006e+00 -2.180503944e+00 3.38 -1.140169606e+00 -1.856311459e+00 -2.132583418e+00 3.40 -1.109758093e+00 -1.814351106e+00 -2.085460927e+00 3.42 -1.080099810e+00 -1.773334927e+00 -2.039141287e+00 3.44 -1.051180612e+00 -1.730314297e+00 -1.993627563e+00 3.46 -1.022986184e+00 -1.679155975e+00 -1.948921225e+00 3.48 -9.955020949e-01 -1.644213718e+00 -1.905022290e+00 3.50 -9.685670011e-01 -1.611272859e+00 -1.861929450e+00 3.52 -9.350506838e-01 -1.579041029e+00 -1.819640194e+00 3.54 -8.656095464e-01 -1.547506630e+00 -1.778150922e+00 3.56 -7.125293550e-01 -1.516657587e+00 -1.737457049e+00 3.58 -5.419246993e-01 -1.486481410e+00 -1.697553103e+00 3.60 -5.301682141e-01 -1.456965257e+00 -1.658432811e+00 3.62 -5.186693733e-01 -1.428095986e+00 -1.620089187e+00 3.64 -5.074224202e-01 -1.399860206e+00 -1.582514604e+00 3.66 -4.964217074e-01 -1.372244329e+00 -1.545700868e+00 3.68 -4.856616985e-01 -1.345234609e+00 -1.509639284e+00 3.70 -4.751369692e-01 -1.318817188e+00 -1.474320711e+00 3.72 -4.648422084e-01 -1.292978131e+00 -1.439735625e+00 3.74 -4.547722178e-01 -1.267703466e+00 -1.405874165e+00 3.76 -4.449219120e-01 -1.242979215e+00 -1.372726184e+00 3.78 -4.352863182e-01 -1.218791430e+00 -1.340281287e+00 3.80 -4.258605749e-01 -1.195126217e+00 -1.308528879e+00 3.82 -4.166399313e-01 -1.171969769e+00 -1.277458194e+00 3.84 -4.076197460e-01 -1.149308394e+00 -1.247058330e+00 3.86 -3.987954852e-01 -1.127128535e+00 -1.217318286e+00 3.88 -3.901627214e-01 -1.105416798e+00 -1.188226980e+00 3.90 -3.817171315e-01 -1.084159973e+00 -1.159773283e+00 3.92 -3.726485262e-01 -1.061895541e+00 -1.130668659e+00 3.94 -3.527650419e-01 -1.019797634e+00 -1.084247377e+00 3.96 -2.953223070e-01 -8.989859525e-01 -9.645241724e-01 3.98 -1.638236141e-01 -5.624502978e-01 -6.192746992e-01 4.00 -1.713795955e-22 -3.948955895e-22 -4.354915054e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 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