# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1998--Liu-X-Y-Adams-J-B--Al-Mg # implementation = 1998--Liu-X-Y--Al-Mg--LAMMPS--ipr1 # composition = Al # 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 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 1.300933639e+02 nan 0.84 nan nan nan nan nan nan nan nan 1.199332184e+02 nan 0.86 nan nan nan nan nan nan nan nan 1.107380093e+02 nan 0.88 nan nan nan nan nan 8.889830050e+01 nan nan 1.024108014e+02 nan 0.90 nan nan nan nan nan 8.290758199e+01 nan nan 9.491751822e+01 nan 0.92 nan nan nan nan nan 7.739109151e+01 nan nan 8.817575259e+01 nan 0.94 nan nan nan nan nan 7.223504994e+01 nan nan 8.212525166e+01 nan 0.96 nan nan nan nan nan 6.745521547e+01 nan nan 7.667194329e+01 nan 0.98 nan nan nan nan nan 6.306619411e+01 nan nan 7.173986164e+01 nan 1.00 nan 9.359786940e+01 nan 1.366944694e+02 1.368985548e+02 5.901692249e+01 nan nan 6.725775391e+01 9.197898899e+01 1.02 nan 8.750174552e+01 nan 1.283133142e+02 1.285076835e+02 5.521091651e+01 8.713416669e+01 nan 6.313654079e+01 8.618175367e+01 1.04 nan 8.182597767e+01 nan 1.205524847e+02 1.206938740e+02 5.155813618e+01 8.150091609e+01 nan 5.930857921e+01 8.093927046e+01 1.06 nan 7.653350246e+01 nan 1.133025397e+02 1.133453464e+02 4.801993999e+01 7.642619694e+01 nan 5.574398545e+01 7.615887817e+01 1.08 nan 7.154864164e+01 nan 1.065461721e+02 1.065062834e+02 4.469234304e+01 7.187841934e+01 nan 5.242912814e+01 7.171273268e+01 1.10 nan 6.686990247e+01 nan 1.002499246e+02 1.001691128e+02 4.158741221e+01 6.773688597e+01 nan 4.932296400e+01 6.756533091e+01 1.12 nan 6.252592830e+01 nan 9.432940089e+01 9.424346898e+01 3.866783037e+01 6.389471505e+01 8.802745284e+01 4.637671648e+01 6.372298166e+01 1.14 8.868278911e+01 5.853099945e+01 7.967538402e+01 8.870030415e+01 8.863539956e+01 3.591900299e+01 6.031969756e+01 8.258979362e+01 4.356676077e+01 6.018020521e+01 1.16 8.328271538e+01 5.489988939e+01 7.484264541e+01 8.331566022e+01 8.328204373e+01 3.333588562e+01 5.702499942e+01 7.747551013e+01 4.090782918e+01 5.689551103e+01 1.18 7.817104070e+01 5.160519306e+01 7.038995188e+01 7.820574321e+01 7.820097166e+01 3.091453648e+01 5.400059161e+01 7.277565751e+01 3.839295684e+01 5.380203961e+01 1.20 7.352052570e+01 4.862227326e+01 6.629277340e+01 7.351988134e+01 7.352473935e+01 2.863586746e+01 5.119943614e+01 6.850431187e+01 3.600395225e+01 5.089453299e+01 1.22 6.928964090e+01 4.590816355e+01 6.248564697e+01 6.924185687e+01 6.924838482e+01 2.646131387e+01 4.856132306e+01 6.459866832e+01 3.371728466e+01 4.813695225e+01 1.24 6.541375789e+01 4.342349866e+01 5.891819429e+01 6.533104958e+01 6.533124596e+01 2.435123527e+01 4.604481879e+01 6.099957373e+01 3.151452739e+01 4.552454124e+01 1.26 6.182309939e+01 4.114215199e+01 5.564680994e+01 6.173861696e+01 6.172607235e+01 2.236134566e+01 4.365869633e+01 5.766539727e+01 2.942389476e+01 4.305022806e+01 1.28 5.848241701e+01 3.904970072e+01 5.268842538e+01 5.842152194e+01 5.839464876e+01 2.054315783e+01 4.139609416e+01 5.457564178e+01 2.747394901e+01 4.070068449e+01 1.30 5.537596833e+01 3.712481768e+01 4.997443044e+01 5.534511423e+01 5.530720262e+01 1.888976430e+01 3.923145971e+01 5.171337773e+01 2.565564674e+01 3.845249872e+01 1.32 5.249755373e+01 3.533744211e+01 4.744115396e+01 5.249229240e+01 5.245131730e+01 1.738351750e+01 3.713521784e+01 4.906306496e+01 2.395072834e+01 3.628629519e+01 1.34 4.984158286e+01 3.366689084e+01 4.507013780e+01 4.985135189e+01 4.981402832e+01 1.600320506e+01 3.508715244e+01 4.660772791e+01 2.233945342e+01 3.419717037e+01 1.36 4.739363541e+01 3.208714985e+01 4.287411838e+01 4.740687799e+01 4.737633258e+01 1.473844718e+01 3.308384459e+01 4.433328185e+01 2.080737133e+01 3.219668962e+01 1.38 4.512008261e+01 3.057742902e+01 4.086083481e+01 4.513181721e+01 4.510890882e+01 1.358794417e+01 3.113637841e+01 4.222166337e+01 1.937711415e+01 3.029354525e+01 1.40 4.297963078e+01 2.913250860e+01 3.901380972e+01 4.299499209e+01 4.298279567e+01 1.255204293e+01 2.928878433e+01 4.024032880e+01 1.804813857e+01 2.848382976e+01 1.42 4.095359245e+01 2.776060785e+01 3.730110027e+01 4.097101157e+01 4.097062616e+01 1.162624475e+01 2.757307369e+01 3.836425658e+01 1.680946324e+01 2.675064056e+01 1.44 3.904432225e+01 2.645763835e+01 3.569337817e+01 3.905009414e+01 3.905947246e+01 1.080066055e+01 2.597797670e+01 3.657861136e+01 1.564867289e+01 2.508510410e+01 1.46 3.726636831e+01 2.520241302e+01 3.417003488e+01 3.724763066e+01 3.726299056e+01 1.005995745e+01 2.448776249e+01 3.488759247e+01 1.455602390e+01 2.352750159e+01 1.48 3.559101998e+01 2.396945523e+01 3.271756602e+01 3.555201534e+01 3.557168521e+01 9.388691238e+00 2.309267514e+01 3.327793703e+01 1.352784200e+01 2.207314892e+01 1.50 3.398663775e+01 2.275313102e+01 3.132665424e+01 3.395073468e+01 3.397553675e+01 8.776817106e+00 2.178526349e+01 3.174152451e+01 1.256062789e+01 2.071384717e+01 1.52 3.243738441e+01 2.156616725e+01 2.999042597e+01 3.243218111e+01 3.246473594e+01 8.220985383e+00 2.055504520e+01 3.027825873e+01 1.164696928e+01 1.944371862e+01 1.54 3.095435077e+01 2.042293986e+01 2.869565304e+01 3.099191986e+01 3.103350451e+01 7.715859056e+00 1.938588464e+01 2.889593207e+01 1.077921382e+01 1.825730787e+01 1.56 2.955003022e+01 1.932538927e+01 2.742502882e+01 2.962266934e+01 2.967105750e+01 7.252792169e+00 1.826285728e+01 2.759489025e+01 9.951400125e+00 1.714803921e+01 1.58 2.823060625e+01 1.826118244e+01 2.616711726e+01 2.831940348e+01 2.836921910e+01 6.821976387e+00 1.717695007e+01 2.637226920e+01 9.161049650e+00 1.610795097e+01 1.60 2.699382133e+01 1.721331375e+01 2.492264114e+01 2.707814794e+01 2.712164219e+01 6.414967997e+00 1.612827064e+01 2.521706742e+01 8.407400280e+00 1.512808880e+01 1.62 2.583496743e+01 1.616672411e+01 2.370463174e+01 2.589982159e+01 2.593019647e+01 6.029536058e+00 1.512026192e+01 2.411954601e+01 7.690922823e+00 1.420017817e+01 1.64 2.474528835e+01 1.511572228e+01 2.252622706e+01 2.478262601e+01 2.479649024e+01 5.665730206e+00 1.416881331e+01 2.306850667e+01 7.009066370e+00 1.331748230e+01 1.66 2.370845558e+01 1.406513437e+01 2.139250021e+01 2.371892973e+01 2.371798790e+01 5.322600765e+00 1.327700464e+01 2.205348884e+01 6.362837558e+00 1.247602346e+01 1.68 2.270986589e+01 1.304385545e+01 2.030331229e+01 2.269765945e+01 2.268622950e+01 4.999574812e+00 1.243460513e+01 2.106673686e+01 5.754540961e+00 1.167322130e+01 1.70 2.173723685e+01 1.205813466e+01 1.925667823e+01 2.170642392e+01 2.168796075e+01 4.697899802e+00 1.163087672e+01 2.010049536e+01 5.179242587e+00 1.090628728e+01 1.72 2.077937806e+01 1.110559968e+01 1.824866216e+01 2.073533031e+01 2.071182594e+01 4.417343383e+00 1.085625091e+01 1.915133807e+01 4.636688882e+00 1.017004958e+01 1.74 1.983652844e+01 1.018241934e+01 1.727075010e+01 1.978200048e+01 1.975287130e+01 4.154782530e+00 1.010386331e+01 1.822033391e+01 4.129338713e+00 9.463688674e+00 1.76 1.890984351e+01 9.283154067e+00 1.631158151e+01 1.884774049e+01 1.881171392e+01 3.902678457e+00 9.368065430e+00 1.730628552e+01 3.659313598e+00 8.786366310e+00 1.78 1.799958361e+01 8.405444667e+00 1.538106485e+01 1.793428249e+01 1.789212718e+01 3.654709071e+00 8.647820750e+00 1.640801696e+01 3.226456214e+00 8.134939171e+00 1.80 1.710437966e+01 7.549071465e+00 1.447436919e+01 1.704247131e+01 1.699742288e+01 3.406449069e+00 7.943163282e+00 1.552161873e+01 2.827953507e+00 7.505294760e+00 1.82 1.622025399e+01 6.721402143e+00 1.358841948e+01 1.617039380e+01 1.612765863e+01 3.156599697e+00 7.254331290e+00 1.464432080e+01 2.458319224e+00 6.894474563e+00 1.84 1.534798032e+01 5.945080269e+00 1.272838034e+01 1.531527427e+01 1.527911387e+01 2.908321359e+00 6.581723943e+00 1.377718776e+01 2.113209120e+00 6.304798817e+00 1.86 1.448775988e+01 5.221562216e+00 1.189611387e+01 1.447329794e+01 1.444643109e+01 2.662630916e+00 5.924882781e+00 1.292001340e+01 1.788823414e+00 5.738176705e+00 1.88 1.363938999e+01 4.549017700e+00 1.109038671e+01 1.364075261e+01 1.362447696e+01 2.418602809e+00 5.285080785e+00 1.207366941e+01 1.482470188e+00 5.197069578e+00 1.90 1.280272623e+01 3.923526642e+00 1.030568138e+01 1.281632399e+01 1.281068395e+01 2.172984546e+00 4.663315065e+00 1.123833818e+01 1.193754404e+00 4.681199631e+00 1.92 1.197741474e+01 3.339190978e+00 9.532292809e+00 1.200004832e+01 1.200419352e+01 1.920741731e+00 4.063421790e+00 1.041145956e+01 9.221897372e-01 4.188213602e+00 1.94 1.116342559e+01 2.791004607e+00 8.765761893e+00 1.119179488e+01 1.120424599e+01 1.660922821e+00 3.492718620e+00 9.589721900e+00 6.670007854e-01 3.716736744e+00 1.96 1.036031026e+01 2.273300301e+00 8.005901477e+00 1.039090626e+01 1.040999134e+01 1.394506598e+00 2.951988557e+00 8.768051447e+00 4.263920696e-01 3.264256551e+00 1.98 9.564574481e+00 1.780488746e+00 7.253442709e+00 9.593918001e+00 9.618251687e+00 1.122960120e+00 2.440438723e+00 7.956186549e+00 1.960943570e-01 2.827702500e+00 2.00 8.769415284e+00 1.309792754e+00 6.510907501e+00 8.795461159e+00 8.824295072e+00 8.485293848e-01 1.956490047e+00 7.167023565e+00 -2.835126852e-02 2.404155242e+00 2.02 7.966605818e+00 8.593673111e-01 5.778676628e+00 7.989669732e+00 8.022795119e+00 5.715847770e-01 1.498156190e+00 6.397721922e+00 -2.505932010e-01 1.989199240e+00 2.04 7.170536231e+00 4.325723455e-01 5.070174658e+00 7.193404032e+00 7.230697255e+00 3.002449803e-01 1.071051726e+00 5.655733713e+00 -4.682005742e-01 1.590549092e+00 2.06 6.402735769e+00 3.381789520e-02 4.400136832e+00 6.428973734e+00 6.469693769e+00 4.405703265e-02 6.813416159e-01 4.951848851e+00 -6.757712693e-01 1.219903628e+00 2.08 5.667396636e+00 -3.355632752e-01 3.765444695e+00 5.698478411e+00 5.740485096e+00 -1.964940910e-01 3.256082085e-01 4.288547813e+00 -8.727453349e-01 8.770413974e-01 2.10 4.969613431e+00 -6.752932029e-01 3.161518654e+00 5.004098910e+00 5.044047104e+00 -4.218228638e-01 2.406761321e-05 3.666577557e+00 -1.058322767e+00 5.619776484e-01 2.12 4.314098132e+00 -9.867202971e-01 2.586793265e+00 4.348506052e+00 4.383080596e+00 -6.326502283e-01 -2.985274399e-01 3.084562913e+00 -1.231313909e+00 2.749326566e-01 2.14 3.703067514e+00 -1.271591642e+00 2.041188044e+00 3.733069687e+00 3.759768445e+00 -8.307543136e-01 -5.726274665e-01 2.539574415e+00 -1.391468194e+00 1.370133041e-02 2.16 3.133296377e+00 -1.531445087e+00 1.524767792e+00 3.155587306e+00 3.173356714e+00 -1.018110815e+00 -8.237805511e-01 2.027872122e+00 -1.539049598e+00 -2.261820274e-01 2.18 2.599807592e+00 -1.767736702e+00 1.040600881e+00 2.613383819e+00 2.622866287e+00 -1.194357688e+00 -1.052350750e+00 1.546174521e+00 -1.674740867e+00 -4.496152612e-01 2.20 2.097407209e+00 -1.981585937e+00 5.913792698e-01 2.103101723e+00 2.105967023e+00 -1.358721295e+00 -1.258408225e+00 1.092246451e+00 -1.799660444e+00 -6.616754177e-01 2.22 1.621320129e+00 -2.174194912e+00 1.784334546e-01 1.621006073e+00 1.619230149e+00 -1.510238483e+00 -1.442503469e+00 6.649656213e-01 -1.915149572e+00 -8.664763753e-01 2.24 1.169663143e+00 -2.346861467e+00 -1.972038880e-01 1.165577228e+00 1.161030463e+00 -1.647944590e+00 -1.605643767e+00 2.642927792e-01 -2.022323883e+00 -1.063921400e+00 2.26 7.427488281e-01 -2.500408789e+00 -5.369858152e-01 7.365363190e-01 7.303818703e-01 -1.772033228e+00 -1.749694259e+00 -1.094986764e-01 -2.121981782e+00 -1.252039116e+00 2.28 3.415755582e-01 -2.635568166e+00 -8.446840059e-01 3.337017423e-01 3.260618867e-01 -1.883282177e+00 -1.877058633e+00 -4.564258814e-01 -2.214051760e+00 -1.428541816e+00 2.30 -3.232623670e-02 -2.753756054e+00 -1.123977880e+00 -4.207811228e-02 -5.159935748e-02 -1.982180542e+00 -1.990492780e+00 -7.765218119e-01 -2.298422805e+00 -1.590944879e+00 2.32 -3.776274710e-01 -2.856897913e+00 -1.378472197e+00 -3.898923096e-01 -4.019724571e-01 -2.069304420e+00 -2.092460149e+00 -1.069534559e+00 -2.375495795e+00 -1.737974127e+00 2.34 -6.945917530e-01 -2.946946975e+00 -1.611718320e+00 -7.100085766e-01 -7.253018217e-01 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