# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = Li # 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 2024-11-27 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan nan nan 0.86 nan nan nan nan nan nan nan nan 3.645068665e+02 nan 0.88 nan nan nan nan nan nan nan nan 3.353122801e+02 nan 0.90 nan nan nan nan nan nan nan nan 3.087892480e+02 nan 0.92 nan nan nan nan nan 2.438923335e+02 nan nan 2.846546292e+02 nan 0.94 nan nan nan nan nan 2.250474206e+02 nan nan 2.626600753e+02 nan 0.96 nan nan nan nan nan 2.078571067e+02 nan nan 2.425860438e+02 nan 0.98 nan nan nan nan nan 1.921530605e+02 nan nan 2.242348387e+02 nan 1.00 nan nan nan nan nan 1.777914697e+02 nan nan 2.074366867e+02 nan 1.02 nan nan nan nan nan 1.646409194e+02 nan nan 1.920389143e+02 nan 1.04 nan nan nan 3.906584148e+02 3.906626954e+02 1.525789643e+02 nan nan 1.779056322e+02 2.566664905e+02 1.06 nan 2.364981790e+02 nan 3.645017645e+02 3.645062386e+02 1.415071889e+02 2.419551021e+02 nan 1.649147175e+02 2.387031216e+02 1.08 nan 2.199390571e+02 nan 3.403441845e+02 3.403491153e+02 1.313312306e+02 2.251350365e+02 nan 1.529593708e+02 2.221465810e+02 1.10 nan 2.046542531e+02 nan 3.180027454e+02 3.180063790e+02 1.219683175e+02 2.096102703e+02 nan 1.419458536e+02 2.068706997e+02 1.12 nan 1.905363958e+02 nan 2.973202671e+02 2.973224999e+02 1.133398721e+02 1.952689635e+02 nan 1.317897657e+02 1.927554773e+02 1.14 nan 1.774778760e+02 nan 2.781534548e+02 2.781556318e+02 1.053785922e+02 1.820059695e+02 nan 1.224142910e+02 1.796958807e+02 1.16 nan 1.653911959e+02 nan 2.603708343e+02 2.603733978e+02 9.802345235e+01 1.697276039e+02 nan 1.137527100e+02 1.676067853e+02 1.18 2.438523853e+02 1.541905061e+02 2.184410249e+02 2.438544214e+02 2.438573736e+02 9.122003159e+01 1.583491389e+02 2.260096698e+02 1.057452547e+02 1.564016432e+02 1.20 2.284967801e+02 1.438057901e+02 2.044692619e+02 2.285000045e+02 2.285040405e+02 8.492228304e+01 1.477954128e+02 2.116239973e+02 9.833656277e+01 1.460030445e+02 1.22 2.142075655e+02 1.341644414e+02 1.914732198e+02 2.142141057e+02 2.142192633e+02 7.908700633e+01 1.379964011e+02 1.982430367e+02 9.147799773e+01 1.363475594e+02 1.24 2.009010874e+02 1.252098533e+02 1.793770581e+02 2.009110999e+02 2.009172240e+02 7.367597084e+01 1.288882115e+02 1.857888900e+02 8.512499380e+01 1.273762478e+02 1.26 1.885020003e+02 1.168846943e+02 1.681106831e+02 1.885106351e+02 1.885164408e+02 6.865579125e+01 1.204164053e+02 1.741875206e+02 7.923595296e+01 1.190345762e+02 1.28 1.769350182e+02 1.091411110e+02 1.576089309e+02 1.769421583e+02 1.769477335e+02 6.399841134e+01 1.125307355e+02 1.633707477e+02 7.377391344e+01 1.112743687e+02 1.30 1.661390870e+02 1.019342907e+02 1.478112700e+02 1.661432346e+02 1.661480753e+02 5.967449620e+01 1.051886600e+02 1.532766861e+02 6.870497222e+01 1.040490903e+02 1.32 1.560554143e+02 9.521945228e+01 1.386679889e+02 1.560564388e+02 1.560592430e+02 5.565950996e+01 9.834650959e+01 1.438526120e+02 6.399690856e+01 9.731859669e+01 1.34 1.466267450e+02 8.895998052e+01 1.301285625e+02 1.466261545e+02 1.466271783e+02 5.192999130e+01 9.196730462e+01 1.350463451e+02 5.962076800e+01 9.104271727e+01 1.36 1.378079053e+02 8.312265850e+01 1.221470615e+02 1.378055775e+02 1.378053310e+02 4.846441991e+01 8.601626170e+01 1.268115770e+02 5.554968163e+01 8.519164260e+01 1.38 1.295528603e+02 7.767472821e+01 1.146766610e+02 1.295493458e+02 1.295484215e+02 4.524033845e+01 8.046198253e+01 1.191060157e+02 5.175991514e+01 7.973312813e+01 1.40 1.218173722e+02 7.258704888e+01 1.076847912e+02 1.218153341e+02 1.218145668e+02 4.224213541e+01 7.527607417e+01 1.118888088e+02 4.822855508e+01 7.463772801e+01 1.42 1.145666667e+02 6.783602241e+01 1.011331546e+02 1.145662631e+02 1.145657425e+02 3.944930462e+01 7.043346711e+01 1.051272409e+02 4.493713272e+01 6.987922673e+01 1.44 1.077660798e+02 6.339702389e+01 9.499421095e+01 1.077676331e+02 1.077679159e+02 3.685091240e+01 6.590958481e+01 9.878864899e+01 4.186741608e+01 6.543110321e+01 1.46 1.013850752e+02 5.924647548e+01 8.923699243e+01 1.013874237e+02 1.013890324e+02 3.443158079e+01 6.168045859e+01 9.284272559e+01 3.900233848e+01 6.127238007e+01 1.48 9.539228816e+01 5.536320767e+01 8.383188177e+01 9.539718441e+01 9.540081124e+01 3.217618371e+01 5.772609735e+01 8.726325593e+01 3.632660382e+01 5.737980992e+01 1.50 8.976324954e+01 5.173122514e+01 7.875822588e+01 8.977085815e+01 8.977667520e+01 3.007337841e+01 5.402618410e+01 8.202519131e+01 3.382749434e+01 5.373594510e+01 1.52 8.447415522e+01 4.833302773e+01 7.399443044e+01 8.448354449e+01 8.449134391e+01 2.811200538e+01 5.056249760e+01 7.710657466e+01 3.149180607e+01 5.032346128e+01 1.54 7.950224210e+01 4.515207055e+01 6.951977494e+01 7.951265605e+01 7.952149760e+01 2.628143796e+01 4.731890356e+01 7.248646822e+01 2.930829482e+01 4.712528155e+01 1.56 7.482726432e+01 4.217219663e+01 6.531583639e+01 7.483717831e+01 7.484643368e+01 2.457234857e+01 4.428043510e+01 6.814464950e+01 2.726796827e+01 4.412616824e+01 1.58 7.042688260e+01 3.938201953e+01 6.136527371e+01 7.043769025e+01 7.044731894e+01 2.297573797e+01 4.143273954e+01 6.406265562e+01 2.536154311e+01 4.131193627e+01 1.60 6.628744730e+01 3.676909570e+01 5.765043853e+01 6.629681354e+01 6.630571889e+01 2.148322812e+01 3.876209963e+01 6.022522099e+01 2.358043481e+01 3.866970596e+01 1.62 6.239238874e+01 3.432123534e+01 5.415772473e+01 6.239939001e+01 6.240699354e+01 2.008665697e+01 3.625586475e+01 5.661673710e+01 2.191647230e+01 3.618713380e+01 1.64 5.872604071e+01 3.202717772e+01 5.087505460e+01 5.873017011e+01 5.873592003e+01 1.877995715e+01 3.390162910e+01 5.322201381e+01 2.036204617e+01 3.385196020e+01 1.66 5.527387518e+01 2.987532891e+01 4.778875575e+01 5.527438393e+01 5.527783767e+01 1.755617471e+01 3.168993156e+01 5.002749106e+01 1.891091827e+01 3.165810750e+01 1.68 5.202171252e+01 2.785607708e+01 4.488553782e+01 5.201926437e+01 5.202020356e+01 1.640840259e+01 2.961103228e+01 4.702067694e+01 1.755679233e+01 2.959620077e+01 1.70 4.895383180e+01 2.596208903e+01 4.215539069e+01 4.895100283e+01 4.894967227e+01 1.533273970e+01 2.765610352e+01 4.418861612e+01 1.629281526e+01 2.765696675e+01 1.72 4.606401532e+01 2.418531618e+01 3.958707488e+01 4.606025499e+01 4.605665001e+01 1.432381929e+01 2.581716472e+01 4.152246908e+01 1.511324706e+01 2.583481561e+01 1.74 4.334066130e+01 2.251777343e+01 3.717005258e+01 4.333518149e+01 4.332954821e+01 1.337675975e+01 2.408741582e+01 3.901066622e+01 1.401302157e+01 2.412278146e+01 1.76 4.077193026e+01 2.095176986e+01 3.489304587e+01 4.076571280e+01 4.075878295e+01 1.248712571e+01 2.245965128e+01 3.664365184e+01 1.298694568e+01 2.251414642e+01 1.78 3.834904295e+01 1.948098068e+01 3.274671091e+01 3.834216214e+01 3.833434193e+01 1.165013089e+01 2.092729515e+01 3.441245579e+01 1.202957835e+01 2.100345681e+01 1.80 3.606322193e+01 1.809877115e+01 3.072353578e+01 3.605574663e+01 3.604750417e+01 1.086243174e+01 1.948669781e+01 3.230749176e+01 1.113599803e+01 1.958543067e+01 1.82 3.390578541e+01 1.679926057e+01 2.881713855e+01 3.389834304e+01 3.389044750e+01 1.012165682e+01 1.813256386e+01 3.032154330e+01 1.030257510e+01 1.825492772e+01 1.84 3.186747886e+01 1.557817470e+01 2.701956799e+01 3.186143750e+01 3.185477180e+01 9.424650696e+00 1.686006631e+01 2.844714776e+01 9.524990801e+00 1.700585755e+01 1.86 2.994233222e+01 1.443115620e+01 2.532321762e+01 2.993827293e+01 2.993345071e+01 8.768253205e+00 1.566476524e+01 2.667788473e+01 8.799045881e+00 1.583503624e+01 1.88 2.812366944e+01 1.335372963e+01 2.372145731e+01 2.812191639e+01 2.811940127e+01 8.149940491e+00 1.454253677e+01 2.500737600e+01 8.120620985e+00 1.473820305e+01 1.90 2.640501360e+01 1.234172837e+01 2.220870664e+01 2.640517160e+01 2.640528916e+01 7.567907194e+00 1.348905337e+01 2.342938325e+01 7.486331641e+00 1.371094084e+01 1.92 2.477982763e+01 1.139133137e+01 2.077932702e+01 2.478247676e+01 2.478539450e+01 7.019967998e+00 1.250092537e+01 2.193822545e+01 6.893304064e+00 1.274843986e+01 1.94 2.324254373e+01 1.049901520e+01 1.942818663e+01 2.324814380e+01 2.325386403e+01 6.504133668e+00 1.157507987e+01 2.052906090e+01 6.338268299e+00 1.184655731e+01 1.96 2.178917057e+01 9.661511589e+00 1.815061852e+01 2.179690891e+01 2.180474395e+01 6.018582488e+00 1.070782121e+01 1.919781881e+01 5.818842256e+00 1.100246050e+01 1.98 2.041488554e+01 8.874845767e+00 1.694238059e+01 2.042439509e+01 2.043405946e+01 5.561636475e+00 9.895479828e+00 1.793986665e+01 5.332385893e+00 1.021225895e+01 2.00 1.911524566e+01 8.137086093e+00 1.579961695e+01 1.912624818e+01 1.913750730e+01 5.131741939e+00 9.135803675e+00 1.675160387e+01 4.876499345e+00 9.472257590e+00 2.02 1.788571205e+01 7.445644112e+00 1.471843532e+01 1.789802598e+01 1.791056701e+01 4.727261389e+00 8.425709543e+00 1.562861743e+01 4.449002775e+00 8.778595703e+00 2.04 1.672146071e+01 6.797836537e+00 1.369473668e+01 1.673533140e+01 1.674890714e+01 4.346394296e+00 7.761765348e+00 1.456751528e+01 4.047644597e+00 8.127123671e+00 2.06 1.562104609e+01 6.191585612e+00 1.272746679e+01 1.563562487e+01 1.564957925e+01 3.988810897e+00 7.141467861e+00 1.356580406e+01 3.670931980e+00 7.516487706e+00 2.08 1.458097533e+01 5.624478242e+00 1.181378572e+01 1.459549329e+01 1.460918246e+01 3.653246351e+00 6.561895105e+00 1.262028262e+01 3.317297891e+00 6.943636388e+00 2.10 1.359800384e+01 5.094236834e+00 1.095109830e+01 1.361160915e+01 1.362443078e+01 3.338526012e+00 6.020363467e+00 1.172795869e+01 2.985026462e+00 6.405756872e+00 2.12 1.266910369e+01 4.598707993e+00 1.013701422e+01 1.268078674e+01 1.269220514e+01 3.043555479e+00 5.514416343e+00 1.088602369e+01 2.672930427e+00 5.900266641e+00 2.14 1.179141150e+01 4.135802660e+00 9.369208564e+00 1.180090997e+01 1.181048897e+01 2.767208801e+00 5.041343821e+00 1.009181507e+01 2.379913117e+00 5.424752695e+00 2.16 1.096199615e+01 3.703068511e+00 8.644546422e+00 1.096923740e+01 1.097677303e+01 2.507477793e+00 4.599280930e+00 9.342659657e+00 2.104834102e+00 4.976539694e+00 2.18 1.017872958e+01 3.299461325e+00 7.962606942e+00 1.018352043e+01 1.018872383e+01 2.265017297e+00 4.186062267e+00 8.636452962e+00 1.846660271e+00 4.554454573e+00 2.20 9.439205393e+00 2.923205199e+00 7.321388045e+00 9.441449924e+00 9.444158513e+00 2.038867332e+00 3.799508659e+00 7.970920555e+00 1.604452974e+00 4.156678278e+00 2.22 8.741150252e+00 2.572253937e+00 6.718975167e+00 8.740850820e+00 8.741023122e+00 1.828135410e+00 3.437570220e+00 7.343124463e+00 1.377356326e+00 3.781576471e+00 2.24 8.082414358e+00 2.245290642e+00 6.153521581e+00 8.079558699e+00 8.077265084e+00 1.631986659e+00 3.098217448e+00 6.752120726e+00 1.164461945e+00 3.427683278e+00 2.26 7.460963693e+00 1.940484925e+00 5.623233418e+00 7.455567116e+00 7.450977081e+00 1.449635135e+00 2.779960497e+00 6.195337792e+00 9.650255324e-01 3.093685021e+00 2.28 6.874873423e+00 1.657005771e+00 5.126359075e+00 6.867282465e+00 6.860649243e+00 1.280336355e+00 2.481195661e+00 5.671254074e+00 7.781878357e-01 2.778404214e+00 2.30 6.320565700e+00 1.393825243e+00 4.661182555e+00 6.311824145e+00 6.303687022e+00 1.123381047e+00 2.200460459e+00 5.177972386e+00 6.036765267e-01 2.480784075e+00 2.32 5.797922873e+00 1.149635851e+00 4.226020235e+00 5.788499892e+00 5.779245698e+00 9.780901050e-01 1.936427745e+00 4.714594796e+00 4.411061666e-01 2.199873771e+00 2.34 5.306075361e+00 9.232191482e-01 3.819220445e+00 5.296169440e+00 5.286119702e+00 8.438106437e-01 1.687899109e+00 4.279450419e+00 2.898352350e-01 1.934814566e+00 2.36 4.843324808e+00 7.134356040e-01 3.438114420e+00 4.832930949e+00 4.822175810e+00 7.199130770e-01 1.453691966e+00 3.870975364e+00 1.491004202e-01 1.684827002e+00 2.38 4.408087568e+00 5.192154696e-01 3.082341619e+00 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