# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Kim-Y-M-Jung-I-H-Lee-B-J--Mg-Li # implementation = 2012--Kim-Y-M--Mg-Li--LAMMPS--ipr1 # composition = LiMg3 # 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 1.131905750e+02 nan nan 0.92 1.073794142e+02 nan nan 0.94 1.018448599e+02 nan nan 0.96 9.657426925e+01 nan nan 0.98 9.155556250e+01 1.056566163e+02 nan 1.00 8.677719842e+01 1.007821726e+02 nan 1.02 8.222815084e+01 9.611392218e+01 9.943546366e+01 1.04 7.789788604e+01 9.164358945e+01 9.504747638e+01 1.06 7.377634121e+01 8.736321779e+01 9.083608418e+01 1.08 6.985390376e+01 8.326515778e+01 8.679456996e+01 1.10 6.612139163e+01 7.934205581e+01 8.291646134e+01 1.12 6.257003433e+01 7.558684299e+01 7.919552213e+01 1.14 5.919145489e+01 7.199272462e+01 7.562574404e+01 1.16 5.597765253e+01 6.855316989e+01 7.220133865e+01 1.18 5.292098615e+01 6.526190201e+01 6.891672968e+01 1.20 5.001415842e+01 6.211288871e+01 6.576654551e+01 1.22 4.725020071e+01 5.910033304e+01 6.274561193e+01 1.24 4.462245854e+01 5.621866455e+01 5.984894520e+01 1.26 4.212457773e+01 5.346253074e+01 5.707174529e+01 1.28 3.975049115e+01 5.082678884e+01 5.440938933e+01 1.30 3.749440600e+01 4.830649792e+01 5.185742539e+01 1.32 3.535079171e+01 4.589691123e+01 4.941156634e+01 1.34 3.331436832e+01 4.359346885e+01 4.706768401e+01 1.36 3.138009535e+01 4.139179061e+01 4.482180354e+01 1.38 2.954316123e+01 3.928766926e+01 4.267009786e+01 1.40 2.779897311e+01 3.727706389e+01 4.060888243e+01 1.42 2.614314714e+01 3.535609360e+01 3.863461018e+01 1.44 2.457149920e+01 3.352103139e+01 3.674386650e+01 1.46 2.308003604e+01 3.176829827e+01 3.493336453e+01 1.48 2.166494671e+01 3.009445763e+01 3.319994059e+01 1.50 2.032259451e+01 2.849620974e+01 3.154054970e+01 1.52 1.904950919e+01 2.697038654e+01 2.995226133e+01 1.54 1.784237951e+01 2.551394655e+01 2.843225525e+01 1.56 1.669804617e+01 2.412397001e+01 2.697781755e+01 1.58 1.561349499e+01 2.279765422e+01 2.558633681e+01 1.60 1.458585042e+01 2.153230895e+01 2.425530035e+01 1.62 1.361236936e+01 2.032535216e+01 2.298229068e+01 1.64 1.269043517e+01 1.917430581e+01 2.176498202e+01 1.66 1.181755205e+01 1.807679178e+01 2.060113696e+01 1.68 1.099133959e+01 1.703052805e+01 1.948860324e+01 1.70 1.020952758e+01 1.603332491e+01 1.842531065e+01 1.72 9.469951069e+00 1.508308143e+01 1.740926805e+01 1.74 8.770545605e+00 1.417778195e+01 1.643856042e+01 1.76 8.109342723e+00 1.331549278e+01 1.551134612e+01 1.78 7.484465602e+00 1.249435897e+01 1.462585416e+01 1.80 6.894124939e+00 1.171260126e+01 1.378038166e+01 1.82 6.336614982e+00 1.096851309e+01 1.297329126e+01 1.84 5.810309756e+00 1.026045778e+01 1.220300878e+01 1.86 5.313659448e+00 9.586865718e+00 1.146802083e+01 1.88 4.845186953e+00 8.946231800e+00 1.076687262e+01 1.90 4.403484577e+00 8.337112829e+00 1.009816573e+01 1.92 3.987210880e+00 7.758125101e+00 9.460556069e+00 1.94 3.595087668e+00 7.207942038e+00 8.852751820e+00 1.96 3.225897105e+00 6.685291939e+00 8.273511526e+00 1.98 2.878478972e+00 6.188955797e+00 7.721642199e+00 2.00 2.551728030e+00 5.717765211e+00 7.195997513e+00 2.02 2.244591512e+00 5.270600371e+00 6.695476066e+00 2.04 1.956066725e+00 4.846388127e+00 6.219019696e+00 2.06 1.685198752e+00 4.444100127e+00 5.765611863e+00 2.08 1.431078269e+00 4.062751029e+00 5.334276087e+00 2.10 1.192839447e+00 3.701396779e+00 4.924074442e+00 2.12 9.696579564e-01 3.359132962e+00 4.534106105e+00 2.14 7.607490564e-01 3.035093208e+00 4.163505962e+00 2.16 5.653657731e-01 2.728447667e+00 3.811443253e+00 2.18 3.827971560e-01 2.438401539e+00 3.477120280e+00 2.20 2.123666167e-01 2.164193661e+00 3.159771151e+00 2.22 5.343033708e-02 1.905095152e+00 2.858660575e+00 2.24 -9.462424446e-02 1.660408106e+00 2.573082703e+00 2.26 -2.323798849e-01 1.429464343e+00 2.302360003e+00 2.28 -3.603909188e-01 1.211624199e+00 2.045842185e+00 2.30 -4.791845796e-01 1.006275371e+00 1.802905161e+00 2.32 -5.892622621e-01 8.128318045e-01 1.572950041e+00 2.34 -6.911007262e-01 6.307326256e-01 1.355402172e+00 2.36 -7.851532476e-01 4.594411126e-01 1.149710207e+00 2.38 -8.718507153e-01 2.984437088e-01 9.553452100e-01 2.40 -9.516026808e-01 1.472490771e-01 7.717997949e-01 2.42 -1.024798357e+00 5.387187196e-03 5.985872944e-01 2.44 -1.091807578e+00 -1.275915583e-01 4.352409595e-01 2.46 -1.152981723e+00 -2.521171631e-01 2.813131925e-01 2.48 -1.208655981e+00 -3.686008454e-01 1.363748024e-01 2.50 -1.259148976e+00 -4.774358127e-01 1.429206019e-05 2.52 -1.304754002e+00 -5.789980051e-01 -1.281628280e-01 2.54 -1.345761504e+00 -6.736468114e-01 -2.485347038e-01 2.56 -1.382442781e+00 -7.617257543e-01 -3.614637737e-01 2.58 -1.415055325e+00 -8.435631497e-01 -4.672973815e-01 2.60 -1.443843475e+00 -9.194727405e-01 -5.663683688e-01 2.62 -1.469039048e+00 -9.897543023e-01 -6.589956413e-01 2.64 -1.490861934e+00 -1.054694228e+00 -7.454847172e-01 2.66 -1.509520672e+00 -1.114566088e+00 -8.261282542e-01 2.68 -1.525212988e+00 -1.169631165e+00 -9.012065548e-01 2.70 -1.538126320e+00 -1.220138973e+00 -9.709880556e-01 2.72 -1.548438314e+00 -1.266327753e+00 -1.035729796e+00 2.74 -1.556322057e+00 -1.308424943e+00 -1.095677870e+00 2.76 -1.561976586e+00 -1.346647641e+00 -1.151067861e+00 2.78 -1.565504081e+00 -1.381203037e+00 -1.202125260e+00 2.80 -1.567007534e+00 -1.412288836e+00 -1.249065865e+00 2.82 -1.566666727e+00 -1.440093660e+00 -1.292096175e+00 2.84 -1.564613782e+00 -1.464797437e+00 -1.331413757e+00 2.86 -1.561199049e+00 -1.486571766e+00 -1.367207724e+00 2.88 -1.557081287e+00 -1.505580279e+00 -1.399659142e+00 2.90 -1.550778533e+00 -1.521978981e+00 -1.428940027e+00 2.92 -1.542980779e+00 -1.535916575e+00 -1.455215974e+00 2.94 -1.534010729e+00 -1.547534778e+00 -1.478645122e+00 2.96 -1.523959742e+00 -1.556968621e+00 -1.499378509e+00 2.98 -1.512914078e+00 -1.564346741e+00 -1.517560481e+00 3.00 -1.500955153e+00 -1.569791654e+00 -1.533328963e+00 3.02 -1.488159779e+00 -1.573439272e+00 -1.546815718e+00 3.04 -1.474600394e+00 -1.575639597e+00 -1.558146602e+00 3.06 -1.460345287e+00 -1.576585344e+00 -1.567441806e+00 3.08 -1.445458802e+00 -1.575407179e+00 -1.574816088e+00 3.10 -1.430001538e+00 -1.572813335e+00 -1.580378995e+00 3.12 -1.414030541e+00 -1.568907351e+00 -1.584235080e+00 3.14 -1.397599484e+00 -1.563775753e+00 -1.586484109e+00 3.16 -1.380758839e+00 -1.557500787e+00 -1.587221258e+00 3.18 -1.363556041e+00 -1.550160614e+00 -1.586537304e+00 3.20 -1.346035644e+00 -1.541829488e+00 -1.584518809e+00 3.22 -1.328239471e+00 -1.532577935e+00 -1.581248296e+00 3.24 -1.310206753e+00 -1.522472911e+00 -1.576804417e+00 3.26 -1.291974266e+00 -1.511577970e+00 -1.571262117e+00 3.28 -1.273576459e+00 -1.499953412e+00 -1.564692790e+00 3.30 -1.255045576e+00 -1.487656433e+00 -1.557164428e+00 3.32 -1.236411769e+00 -1.474741261e+00 -1.548741766e+00 3.34 -1.217703214e+00 -1.461259294e+00 -1.539486419e+00 3.36 -1.198946212e+00 -1.447259226e+00 -1.529457016e+00 3.38 -1.180165291e+00 -1.432787175e+00 -1.518709328e+00 3.40 -1.161383299e+00 -1.417886794e+00 -1.507296390e+00 3.42 -1.142621497e+00 -1.402599389e+00 -1.495268616e+00 3.44 -1.123899644e+00 -1.386964025e+00 -1.482673915e+00 3.46 -1.105236077e+00 -1.371017633e+00 -1.469557801e+00 3.48 -1.086647793e+00 -1.354795104e+00 -1.455977554e+00 3.50 -1.068150518e+00 -1.338329386e+00 -1.442319828e+00 3.52 -1.049758780e+00 -1.321651577e+00 -1.429413441e+00 3.54 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-1.136243015e+00 3.90 -7.328682816e-01 -9.948669233e-01 -1.119409799e+00 3.92 -7.182857518e-01 -9.782827676e-01 -1.102634151e+00 3.94 -7.039303566e-01 -9.618369989e-01 -1.085927352e+00 3.96 -6.898024271e-01 -9.455364856e-01 -1.069299933e+00 3.98 -6.759020129e-01 -9.293875188e-01 -1.052761710e+00 4.00 -6.622289019e-01 -9.133958432e-01 -1.036321824e+00 4.02 -6.488205333e-01 -8.975666859e-01 -1.019988766e+00 4.04 -6.362698557e-01 -8.819047847e-01 -1.003770418e+00 4.06 -6.199395285e-01 -8.664144139e-01 -9.876740740e-01 4.08 -5.243097807e-01 -8.510994106e-01 -9.717064755e-01 4.10 -5.081317490e-01 -8.359631980e-01 -9.558738367e-01 4.12 -4.971902924e-01 -8.210088088e-01 -9.401818714e-01 4.14 -4.863839205e-01 -8.062389071e-01 -9.246358184e-01 4.16 -4.757135136e-01 -7.916558091e-01 -9.092404657e-01 4.18 -4.651798091e-01 -7.772615033e-01 -8.940001739e-01 4.20 -4.547834097e-01 -7.630576693e-01 -8.789188980e-01 4.22 -4.445247907e-01 -7.490456960e-01 -8.640002090e-01 4.24 -4.344043073e-01 -7.352266984e-01 -8.492473140e-01 4.26 -4.244222012e-01 -7.215604353e-01 -8.346630755e-01 4.28 -4.145786074e-01 -7.072316648e-01 -8.202500299e-01 4.30 -4.048735600e-01 -6.887149133e-01 -8.060104051e-01 4.32 -3.953069983e-01 -6.577596642e-01 -7.919461376e-01 4.34 -3.858787725e-01 -6.388084640e-01 -7.780588885e-01 4.36 -3.765886489e-01 -6.280400615e-01 -7.643500587e-01 4.38 -3.674363151e-01 -6.174133650e-01 -7.508208037e-01 4.40 -3.581643502e-01 -6.069286824e-01 -7.374720476e-01 4.42 -3.441513775e-01 -5.965861805e-01 -7.243044965e-01 4.44 -3.096997375e-01 -5.863858939e-01 -7.113186511e-01 4.46 -2.088475167e-01 -5.763277327e-01 -6.985148191e-01 4.48 -1.118633814e-01 -5.664114901e-01 -6.858931263e-01 4.50 -1.096834863e-01 -5.566368499e-01 -6.734535283e-01 4.52 -1.075434997e-01 -5.470033934e-01 -6.611958205e-01 4.54 -1.054430189e-01 -5.375106059e-01 -6.491196482e-01 4.56 -1.033816252e-01 -5.281578831e-01 -6.372245164e-01 4.58 -1.013588850e-01 -5.189445373e-01 -6.255097986e-01 4.60 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-4.363050429e-01 4.96 -5.696740376e-02 -3.204106985e-01 -3.914137410e-01 4.98 -3.108527700e-02 -1.966942315e-01 -2.546699286e-01 5.00 -5.738104257e-23 -3.209728644e-22 -3.382636371e-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 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 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