# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Ti-Mn # implementation = 2025--Sharifi-H--Co-Ti-Mn--LAMMPS--ipr1 # composition = Co3Ti # 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 2025-07-01 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 4.042399368e+02 nan nan 0.92 3.701596253e+02 nan nan 0.94 3.398724491e+02 nan nan 0.96 3.128662345e+02 nan nan 0.98 2.886826759e+02 3.882093661e+02 nan 1.00 2.669205933e+02 3.591479558e+02 nan 1.02 2.472347960e+02 3.334455234e+02 4.280014036e+02 1.04 2.293323061e+02 3.107269926e+02 4.009025522e+02 1.06 2.128718000e+02 2.902051066e+02 3.764482878e+02 1.08 1.972090808e+02 2.702757199e+02 3.523116246e+02 1.10 1.823217383e+02 2.509817592e+02 3.285985381e+02 1.12 1.682505140e+02 2.325234958e+02 3.056484570e+02 1.14 1.550099733e+02 2.150213161e+02 2.836824000e+02 1.16 1.425961447e+02 1.985375327e+02 2.628338043e+02 1.18 1.309921713e+02 1.830930275e+02 2.431722920e+02 1.20 1.201724289e+02 1.686797319e+02 2.247216839e+02 1.22 1.101055206e+02 1.552699152e+02 2.074735706e+02 1.24 1.007564429e+02 1.428230325e+02 1.913974558e+02 1.26 9.208815141e+01 1.312907270e+02 1.764482835e+02 1.28 8.406268967e+01 1.206204325e+02 1.625719650e+02 1.30 7.664199782e+01 1.107579281e+02 1.497093870e+02 1.32 6.978849275e+01 1.016491102e+02 1.377992771e+02 1.34 6.346547866e+01 9.324118651e+01 1.267802092e+02 1.36 5.763743732e+01 8.548344723e+01 1.165919738e+02 1.38 5.227022796e+01 7.832772976e+01 1.071764767e+02 1.40 4.733122219e+01 7.172866614e+01 9.847829778e+01 1.42 4.278939000e+01 6.564377847e+01 9.044500431e+01 1.44 3.861534866e+01 6.003347024e+01 8.302729101e+01 1.46 3.478138406e+01 5.486095012e+01 7.617899770e+01 1.48 3.126144973e+01 5.009211314e+01 6.985704493e+01 1.50 2.803114965e+01 4.569539743e+01 6.402132610e+01 1.52 2.506770755e+01 4.164162996e+01 5.863457112e+01 1.54 2.234992522e+01 3.790386887e+01 5.366219297e+01 1.56 1.985813214e+01 3.445724871e+01 4.907212799e+01 1.58 1.757412884e+01 3.127883207e+01 4.483467668e+01 1.60 1.548112452e+01 2.834746927e+01 4.092234834e+01 1.62 1.356367112e+01 2.564366723e+01 3.730971303e+01 1.64 1.180759449e+01 2.314946782e+01 3.397326185e+01 1.66 1.019992165e+01 2.084833506e+01 3.089127553e+01 1.68 8.728750191e+00 1.872505127e+01 2.804370234e+01 1.70 7.383074942e+00 1.676562117e+01 2.541204409e+01 1.72 6.152731808e+00 1.495718312e+01 2.297924996e+01 1.74 5.028366087e+00 1.328792714e+01 2.072961798e+01 1.76 4.001396138e+00 1.174701591e+01 1.864870284e+01 1.78 3.063973773e+00 1.032449726e+01 1.672322988e+01 1.80 2.208939256e+00 9.011213367e+00 1.494101468e+01 1.82 1.429755849e+00 7.798741961e+00 1.329088758e+01 1.84 7.204449996e-01 6.679347602e+00 1.176262303e+01 1.86 7.553475778e-02 5.645935448e+00 1.034687311e+01 1.88 -5.099864427e-01 4.692007409e+00 9.035104750e+00 1.90 -1.040711489e+00 3.811620769e+00 7.819540771e+00 1.92 -1.520852293e+00 2.999348934e+00 6.693104250e+00 1.94 -1.954273860e+00 2.250244212e+00 5.649366002e+00 1.96 -2.344525066e+00 1.559802670e+00 4.682495202e+00 1.98 -2.694866518e+00 9.239307669e-01 3.787212682e+00 2.00 -3.008295765e+00 3.389136100e-01 2.958746684e+00 2.02 -3.287570138e+00 -1.986202397e-01 2.192783925e+00 2.04 -3.535230079e+00 -6.917458620e-01 1.485403637e+00 2.06 -3.753633866e+00 -1.143318592e+00 8.329675630e-01 2.08 -3.944980137e+00 -1.556022016e+00 2.320518616e-01 2.10 -4.111321353e+00 -1.932379913e+00 -3.205680144e-01 2.12 -4.254574028e+00 -2.274765664e+00 -8.279288626e-01 2.14 -4.376527329e+00 -2.585411102e+00 -1.292890599e+00 2.16 -4.478851116e+00 -2.866416047e+00 -1.718146484e+00 2.18 -4.563103481e+00 -3.119778980e+00 -2.106232703e+00 2.20 -4.630737807e+00 -3.347396201e+00 -2.459537410e+00 2.22 -4.683109325e+00 -3.551043952e+00 -2.780309224e+00 2.24 -4.721549921e+00 -3.732385594e+00 -3.070665206e+00 2.26 -4.747555442e+00 -3.892978892e+00 -3.332598401e+00 2.28 -4.762537547e+00 -4.034282790e+00 -3.567984913e+00 2.30 -4.767760148e+00 -4.157663722e+00 -3.778590571e+00 2.32 -4.764354202e+00 -4.264401506e+00 -3.966077221e+00 2.34 -4.753331021e+00 -4.355694824e+00 -4.132008640e+00 2.36 -4.735594313e+00 -4.432666352e+00 -4.277856111e+00 2.38 -4.711951052e+00 -4.496367538e+00 -4.405003688e+00 2.40 -4.683121300e+00 -4.547783065e+00 -4.514753138e+00 2.42 -4.649747069e+00 -4.587835021e+00 -4.608328626e+00 2.44 -4.612400327e+00 -4.617386799e+00 -4.686881114e+00 2.46 -4.571590204e+00 -4.637246732e+00 -4.751492511e+00 2.48 -4.527769502e+00 -4.648171516e+00 -4.803179618e+00 2.50 -4.481340554e+00 -4.650894736e+00 -4.842933174e+00 2.52 -4.432660348e+00 -4.646234317e+00 -4.871867074e+00 2.54 -4.382044891e+00 -4.634979005e+00 -4.891059303e+00 2.56 -4.329774007e+00 -4.617843139e+00 -4.901488403e+00 2.58 -4.276095324e+00 -4.595473656e+00 -4.904042794e+00 2.60 -4.221227693e+00 -4.568456149e+00 -4.899528790e+00 2.62 -4.165364262e+00 -4.537320383e+00 -4.888677910e+00 2.64 -4.108675229e+00 -4.502545349e+00 -4.872153578e+00 2.66 -4.051310309e+00 -4.464563871e+00 -4.850557237e+00 2.68 -3.993400934e+00 -4.423766801e+00 -4.824433938e+00 2.70 -3.935062231e+00 -4.380506862e+00 -4.794277445e+00 2.72 -3.876394774e+00 -4.335102139e+00 -4.760534897e+00 2.74 -3.817486158e+00 -4.287839265e+00 -4.723611059e+00 2.76 -3.758412390e+00 -4.238976332e+00 -4.683872213e+00 2.78 -3.699239135e+00 -4.188745528e+00 -4.641649695e+00 2.80 -3.640022818e+00 -4.137355551e+00 -4.597243126e+00 2.82 -3.580811595e+00 -4.084993799e+00 -4.550923362e+00 2.84 -3.521646219e+00 -4.031828368e+00 -4.502935173e+00 2.86 -3.462560799e+00 -3.978009858e+00 -4.453499692e+00 2.88 -3.403583467e+00 -3.923673032e+00 -4.402816640e+00 2.90 -3.344736964e+00 -3.868938304e+00 -4.351066353e+00 2.92 -3.286039149e+00 -3.813913104e+00 -4.298411627e+00 2.94 -3.227503443e+00 -3.758693109e+00 -4.244999395e+00 2.96 -3.169139214e+00 -3.703363364e+00 -4.190962250e+00 2.98 -3.110952109e+00 -3.647999294e+00 -4.136419829e+00 3.00 -3.052944339e+00 -3.592667620e+00 -4.081480077e+00 3.02 -2.995114922e+00 -3.537427191e+00 -4.026240379e+00 3.04 -2.937459891e+00 -3.482329735e+00 -3.970788605e+00 3.06 -2.879972477e+00 -3.427420529e+00 -3.915204039e+00 3.08 -2.822643258e+00 -3.372739019e+00 -3.859558238e+00 3.10 -2.765460300e+00 -3.318319359e+00 -3.803915797e+00 3.12 -2.708409273e+00 -3.264190909e+00 -3.748335045e+00 3.14 -2.651473571e+00 -3.210378677e+00 -3.692868678e+00 3.16 -2.594634422e+00 -3.156903713e+00 -3.637564326e+00 3.18 -2.537871010e+00 -3.103783462e+00 -3.582465063e+00 3.20 -2.481160613e+00 -3.051032082e+00 -3.527609879e+00 3.22 -2.424478761e+00 -2.998660717e+00 -3.473034087e+00 3.24 -2.367799432e+00 -2.946677753e+00 -3.418769706e+00 3.26 -2.311095302e+00 -2.895089027e+00 -3.364845799e+00 3.28 -2.254338048e+00 -2.843898025e+00 -3.311288773e+00 3.30 -2.197498734e+00 -2.793106049e+00 -3.258122657e+00 3.32 -2.140548298e+00 -2.742712360e+00 -3.205369345e+00 3.34 -2.083458150e+00 -2.692714308e+00 -3.153048818e+00 3.36 -2.026200911e+00 -2.643107439e+00 -3.101179341e+00 3.38 -1.968751313e+00 -2.593885590e+00 -3.049777640e+00 3.40 -1.911087278e+00 -2.545040967e+00 -2.998859061e+00 3.42 -1.853191201e+00 -2.496564215e+00 -2.948437712e+00 3.44 -1.795051450e+00 -2.448444477e+00 -2.898526588e+00 3.46 -1.736664083e+00 -2.400669444e+00 -2.849137686e+00 3.48 -1.678034795e+00 -2.353225399e+00 -2.800289157e+00 3.50 -1.619181053e+00 -2.306097266e+00 -2.752124671e+00 3.52 -1.560134391e+00 -2.259268644e+00 -2.704821113e+00 3.54 -1.500942781e+00 -2.212721864e+00 -2.657744703e+00 3.56 -1.441672983e+00 -2.166438035e+00 -2.610732520e+00 3.58 -1.382412730e+00 -2.120397116e+00 -2.564280314e+00 3.60 -1.323272549e+00 -2.074577998e+00 -2.518394934e+00 3.62 -1.264387019e+00 -2.028958612e+00 -2.473082783e+00 3.64 -1.205915210e+00 -1.983516070e+00 -2.428349862e+00 3.66 -1.148040042e+00 -1.938226843e+00 -2.384201802e+00 3.68 -1.090966342e+00 -1.893066988e+00 -2.340643896e+00 3.70 -1.034917397e+00 -1.848012440e+00 -2.297681123e+00 3.72 -9.801299183e-01 -1.803039369e+00 -2.255318176e+00 3.74 -9.268474322e-01 -1.758124632e+00 -2.213559480e+00 3.76 -8.753122989e-01 -1.713246310e+00 -2.172409211e+00 3.78 -8.257567052e-01 -1.668384373e+00 -2.131871311e+00 3.80 -7.783931641e-01 -1.623521451e+00 -2.091949502e+00 3.82 -7.334051715e-01 -1.578643753e+00 -2.052647299e+00 3.84 -6.909387505e-01 -1.533742114e+00 -2.013968016e+00 3.86 -6.510955965e-01 -1.488813182e+00 -1.975914780e+00 3.88 -6.139284455e-01 -1.443860726e+00 -1.938490530e+00 3.90 -5.794391025e-01 -1.398897051e+00 -1.901698030e+00 3.92 -5.475793292e-01 -1.353944457e+00 -1.865539863e+00 3.94 -5.182545198e-01 -1.309036715e+00 -1.830018443e+00 3.96 -4.913298328e-01 -1.264220442e+00 -1.795136004e+00 3.98 -4.666382313e-01 -1.219556301e+00 -1.760894610e+00 4.00 -4.439897339e-01 -1.175119871e+00 -1.727296140e+00 4.02 -4.233401673e-01 -1.131002079e+00 -1.694342293e+00 4.04 -4.083282343e-01 -1.087309004e+00 -1.662034574e+00 4.06 -4.139294184e-01 -1.044160953e+00 -1.630374287e+00 4.08 -4.330837013e-01 -1.001690659e+00 -1.599362526e+00 4.10 -4.183647770e-01 -9.600405507e-01 -1.569000154e+00 4.12 -4.032057852e-01 -9.193590846e-01 -1.539287792e+00 4.14 -3.885101665e-01 -8.797962189e-01 -1.510225796e+00 4.16 -3.742464843e-01 -8.414982144e-01 -1.481814235e+00 4.18 -3.603903589e-01 -8.046020318e-01 -1.454052861e+00 4.20 -3.469229514e-01 -7.692296785e-01 -1.426941081e+00 4.22 -3.338296075e-01 -7.354829101e-01 -1.400477919e+00 4.24 -3.210987110e-01 -7.034387003e-01 -1.374661977e+00 4.26 -3.087207622e-01 -6.730318132e-01 -1.349491389e+00 4.28 -2.966876748e-01 -6.421668067e-01 -1.324963774e+00 4.30 -2.849922656e-01 -6.061811594e-01 -1.301076173e+00 4.32 -2.736279019e-01 -5.664410450e-01 -1.277824996e+00 4.34 -2.625882715e-01 -5.416545125e-01 -1.255205946e+00 4.36 -2.518672401e-01 -5.226761073e-01 -1.233213951e+00 4.38 -2.414587685e-01 -5.048402121e-01 -1.211843082e+00 4.40 -2.307458798e-01 -4.880262932e-01 -1.191086466e+00 4.42 -2.089773150e-01 -4.721182993e-01 -1.170936195e+00 4.44 -6.153481255e-01 -4.570080443e-01 -1.151383229e+00 4.46 -3.496233112e-01 -4.425976459e-01 -1.132417295e+00 4.48 -2.013314695e-01 -4.288010027e-01 -1.114026781e+00 4.50 -1.966439849e-01 -4.155443745e-01 -1.096198633e+00 4.52 -1.920717308e-01 -4.027661878e-01 -1.078918247e+00 4.54 -1.876121162e-01 -3.904162333e-01 -1.062169368e+00 4.56 -1.832625930e-01 -3.784544382e-01 -1.045933998e+00 4.58 -1.790206566e-01 -3.668493957e-01 -1.030192316e+00 4.60 -1.748838470e-01 -3.555768165e-01 -1.014922608e+00 4.62 -1.708497494e-01 -3.446180324e-01 -1.000101231e+00 4.64 -1.669159952e-01 -3.339586477e-01 -9.857026008e-01 4.66 -1.630802621e-01 -3.235873944e-01 -9.716992205e-01 4.68 -1.593402749e-01 -3.134952096e-01 -9.580617543e-01 4.70 -1.556938056e-01 -3.036745316e-01 -9.447591552e-01 4.72 -1.521386730e-01 -2.941187876e-01 -9.317588557e-01 4.74 -1.486727431e-01 -2.848220396e-01 -9.190270254e-01 4.76 -1.452939284e-01 -2.757787512e-01 -9.065289011e-01 4.78 -1.420001871e-01 -2.669836417e-01 -8.942291922e-01 4.80 -1.387895230e-01 -2.584315990e-01 -8.820925569e-01 4.82 -1.356599840e-01 -2.501176303e-01 -8.700841464e-01 4.84 -1.326096616e-01 -2.420368353e-01 -8.581702023e-01 4.86 -1.296366895e-01 -2.341843917e-01 -8.463186935e-01 4.88 -1.267392428e-01 -2.265555479e-01 -8.344999688e-01 4.90 -1.239155366e-01 -2.191456189e-01 -8.226873998e-01 4.92 -1.208816079e-01 -2.114422058e-01 -8.093086827e-01 4.94 -1.140723566e-01 -1.971540955e-01 -7.744589659e-01 4.96 -9.434061619e-02 -1.607362402e-01 -6.629080348e-01 4.98 -5.064531534e-02 -8.478772319e-02 -3.846212905e-01 5.00 -3.207677243e-23 -1.144793324e-22 -1.581180403e-22 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 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