# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Dickel-D-E-Baskes-M-I-Aslam-I-Barrett-C-D--Mg-Al-Zn # implementation = 2018--Dickel-D-E--Mg-Al-Zn--LAMMPS--ipr1 # composition = AlZn3 # 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 3.087120999e+02 nan nan 1.06 2.817039419e+02 nan nan 1.08 2.571948497e+02 nan nan 1.10 2.349604362e+02 nan nan 1.12 2.147878348e+02 2.770827683e+02 nan 1.14 1.964777664e+02 2.551628952e+02 nan 1.16 1.798460001e+02 2.350383586e+02 3.412466513e+02 1.18 1.647243300e+02 2.165790824e+02 3.138616638e+02 1.20 1.509610756e+02 1.996587925e+02 2.887831217e+02 1.22 1.384210519e+02 1.841564785e+02 2.658299150e+02 1.24 1.269849404e+02 1.699573486e+02 2.448301456e+02 1.26 1.165480676e+02 1.569533974e+02 2.256219772e+02 1.28 1.070187023e+02 1.450436799e+02 2.080540502e+02 1.30 9.835572529e+01 1.341343685e+02 1.919855714e+02 1.32 9.075213450e+01 1.241386500e+02 1.772861675e+02 1.34 8.392932041e+01 1.149765090e+02 1.638355706e+02 1.36 7.763658059e+01 1.065744335e+02 1.515231888e+02 1.38 7.173353830e+01 9.886506960e+01 1.402476022e+02 1.40 6.614936912e+01 9.178684603e+01 1.299160151e+02 1.42 6.085471985e+01 8.528358543e+01 1.204436887e+02 1.44 5.584292417e+01 7.930411300e+01 1.117533688e+02 1.46 5.111783641e+01 7.380187167e+01 1.037747243e+02 1.48 4.668629104e+01 6.873454969e+01 9.644380175e+01 1.50 4.255373641e+01 6.406372458e+01 8.970250498e+01 1.52 3.872200406e+01 5.975452607e+01 8.349810101e+01 1.54 3.518846860e+01 5.577531904e+01 7.778275635e+01 1.56 3.194607363e+01 5.209740674e+01 7.251310368e+01 1.58 2.898340711e+01 4.869354452e+01 6.764802528e+01 1.60 2.633781371e+01 4.567723974e+01 6.335761782e+01 1.62 2.402278501e+01 4.310659423e+01 5.972897333e+01 1.64 2.195402306e+01 4.078469447e+01 5.646678382e+01 1.66 2.007216398e+01 3.858468410e+01 5.338097208e+01 1.68 1.833726434e+01 3.643321048e+01 5.036188369e+01 1.70 1.672304898e+01 3.429360059e+01 4.735507019e+01 1.72 1.521266335e+01 3.215340454e+01 4.434261614e+01 1.74 1.379556939e+01 3.001531048e+01 4.132951022e+01 1.76 1.246530604e+01 2.789064466e+01 3.833387541e+01 1.78 1.121790007e+01 2.579483916e+01 3.538012649e+01 1.80 1.005076288e+01 2.374438429e+01 3.249432711e+01 1.82 8.961947516e+00 2.175488860e+01 2.970118099e+01 1.84 7.949669575e+00 1.983995212e+01 2.702222033e+01 1.86 7.012020538e+00 1.801062178e+01 2.447485621e+01 1.88 6.146818486e+00 1.627524733e+01 2.207203455e+01 1.90 5.351551979e+00 1.463959413e+01 1.982230305e+01 1.92 4.623386398e+00 1.310710171e+01 1.773014272e+01 1.94 3.959209214e+00 1.167920483e+01 1.579645456e+01 1.96 3.355695495e+00 1.035565972e+01 1.401912163e+01 1.98 2.809344217e+00 9.134842116e+00 1.239358936e+01 2.00 2.316482240e+00 8.014003115e+00 1.091342515e+01 2.02 1.873337174e+00 6.989484052e+00 9.570832156e+00 2.04 1.476107828e+00 6.056899287e+00 8.357102954e+00 2.06 1.121030231e+00 5.211297871e+00 7.263006716e+00 2.08 8.044394895e-01 4.447314517e+00 6.279109490e+00 2.10 5.228181700e-01 3.759313324e+00 5.396030722e+00 2.12 2.728318849e-01 3.141524190e+00 4.604641669e+00 2.14 5.135362089e-02 2.588169383e+00 3.896212698e+00 2.16 -1.445215109e-01 2.093576281e+00 3.262516904e+00 2.18 -3.174694472e-01 1.652272687e+00 2.695897306e+00 2.20 -4.699366954e-01 1.259062493e+00 2.189304454e+00 2.22 -6.041448011e-01 9.090811926e-01 1.736310555e+00 2.24 -7.220985135e-01 5.978321976e-01 1.331105435e+00 2.26 -8.255966011e-01 3.212040288e-01 9.684758158e-01 2.28 -9.162444589e-01 7.546865984e-02 6.437680490e-01 2.30 -9.954677777e-01 -1.427260237e-01 3.528524352e-01 2.32 -1.064526725e+00 -3.363696165e-01 9.208743768e-02 2.34 -1.124530198e+00 -5.081087450e-01 -1.417185233e-01 2.36 -1.176449821e+00 -6.602706589e-01 -3.513462194e-01 2.38 -1.221133447e+00 -7.948891153e-01 -5.392045514e-01 2.40 -1.259318410e+00 -9.137323174e-01 -7.073701002e-01 2.42 -1.291652468e+00 -1.018353321e+00 -8.576588289e-01 2.44 -1.318717334e+00 -1.110148785e+00 -9.917094308e-01 2.46 -1.341037613e+00 -1.190379826e+00 -1.111009457e+00 2.48 -1.359086522e+00 -1.260185013e+00 -1.216909603e+00 2.50 -1.373291030e+00 -1.320592304e+00 -1.310636580e+00 2.52 -1.384036470e+00 -1.372529937e+00 -1.393304737e+00 2.54 -1.391670686e+00 -1.416836317e+00 -1.465926549e+00 2.56 -1.396509593e+00 -1.454268956e+00 -1.529422094e+00 2.58 -1.399009900e+00 -1.485512531e+00 -1.584627633e+00 2.60 -1.399887900e+00 -1.511186124e+00 -1.632303366e+00 2.62 -1.399792746e+00 -1.531849734e+00 -1.673140457e+00 2.64 -1.399273602e+00 -1.548010113e+00 -1.707767401e+00 2.66 -1.398790556e+00 -1.560125994e+00 -1.736755790e+00 2.68 -1.398724550e+00 -1.568612784e+00 -1.760625551e+00 2.70 -1.399386368e+00 -1.573846758e+00 -1.779849684e+00 2.72 -1.401024760e+00 -1.576168831e+00 -1.794858571e+00 2.74 -1.403833810e+00 -1.575887929e+00 -1.806043881e+00 2.76 -1.407959571e+00 -1.573284017e+00 -1.813762117e+00 2.78 -1.413506068e+00 -1.568610815e+00 -1.818337836e+00 2.80 -1.420540706e+00 -1.562098245e+00 -1.820066570e+00 2.82 -1.429099132e+00 -1.553954625e+00 -1.819217477e+00 2.84 -1.439189622e+00 -1.544368646e+00 -1.816035756e+00 2.86 -1.450797006e+00 -1.533511523e+00 -1.810745379e+00 2.88 -1.463886197e+00 -1.521607885e+00 -1.803654996e+00 2.90 -1.478405346e+00 -1.509016501e+00 -1.795278642e+00 2.92 -1.494288660e+00 -1.496073297e+00 -1.786099917e+00 2.94 -1.511458917e+00 -1.483067560e+00 -1.776535984e+00 2.96 -1.529829700e+00 -1.470246425e+00 -1.766944016e+00 2.98 -1.549307382e+00 -1.457819048e+00 -1.757627191e+00 3.00 -1.569792882e+00 -1.445960423e+00 -1.748840166e+00 3.02 -1.591183214e+00 -1.434814876e+00 -1.740794101e+00 3.04 -1.613372846e+00 -1.424499265e+00 -1.733661230e+00 3.06 -1.636254893e+00 -1.415105909e+00 -1.727579054e+00 3.08 -1.659722157e+00 -1.406705266e+00 -1.722654156e+00 3.10 -1.683668025e+00 -1.399348377e+00 -1.718965684e+00 3.12 -1.707987245e+00 -1.393069103e+00 -1.716568527e+00 3.14 -1.732576591e+00 -1.387886164e+00 -1.715496197e+00 3.16 -1.757335427e+00 -1.383805000e+00 -1.715763461e+00 3.18 -1.782166175e+00 -1.380819460e+00 -1.717368722e+00 3.20 -1.806974711e+00 -1.378913345e+00 -1.720296183e+00 3.22 -1.831670683e+00 -1.378061806e+00 -1.724517807e+00 3.24 -1.856167764e+00 -1.378232613e+00 -1.729995092e+00 3.26 -1.880383851e+00 -1.379387302e+00 -1.736680673e+00 3.28 -1.904241208e+00 -1.381482213e+00 -1.744519763e+00 3.30 -1.927666570e+00 -1.384469425e+00 -1.753451456e+00 3.32 -1.950591202e+00 -1.388297600e+00 -1.763409899e+00 3.34 -1.972950924e+00 -1.392912736e+00 -1.774325331e+00 3.36 -1.994686110e+00 -1.398258845e+00 -1.786125027e+00 3.38 -2.015741651e+00 -1.404278552e+00 -1.798734130e+00 3.40 -2.036066903e+00 -1.410913635e+00 -1.812076396e+00 3.42 -2.055617216e+00 -1.418105500e+00 -1.826074849e+00 3.44 -2.074400494e+00 -1.425795595e+00 -1.840652366e+00 3.46 -2.092449427e+00 -1.433925783e+00 -1.855732184e+00 3.48 -2.109443370e+00 -1.442438656e+00 -1.871238350e+00 3.50 -2.125501717e+00 -1.451277819e+00 -1.887096109e+00 3.52 -2.140614547e+00 -1.460388125e+00 -1.903232240e+00 3.54 -2.154759592e+00 -1.469715879e+00 -1.919575343e+00 3.56 -2.167918107e+00 -1.479209009e+00 -1.936056084e+00 3.58 -2.180074715e+00 -1.488817213e+00 -1.952607398e+00 3.60 -2.191217256e+00 -1.498492070e+00 -1.969164664e+00 3.62 -2.201336630e+00 -1.508187147e+00 -1.985665837e+00 3.64 -2.210426646e+00 -1.517860351e+00 -2.002051556e+00 3.66 -2.218483866e+00 -1.527480104e+00 -2.018265234e+00 3.68 -2.225507452e+00 -1.536990356e+00 -2.034253109e+00 3.70 -2.231499016e+00 -1.546342837e+00 -2.049964287e+00 3.72 -2.236462470e+00 -1.555514863e+00 -2.065350763e+00 3.74 -2.240403881e+00 -1.564472768e+00 -2.080367423e+00 3.76 -2.243331331e+00 -1.573185034e+00 -2.094972034e+00 3.78 -2.245254773e+00 -1.581622268e+00 -2.109125220e+00 3.80 -2.246185899e+00 -1.589757174e+00 -2.122790430e+00 3.82 -2.246138009e+00 -1.597564509e+00 -2.135933888e+00 3.84 -2.245125884e+00 -1.605021044e+00 -2.148524549e+00 3.86 -2.243165663e+00 -1.612105514e+00 -2.160534029e+00 3.88 -2.240274724e+00 -1.618798566e+00 -2.171936546e+00 3.90 -2.236471574e+00 -1.625082697e+00 -2.182708846e+00 3.92 -2.231775737e+00 -1.630942204e+00 -2.192830125e+00 3.94 -2.226207649e+00 -1.636363115e+00 -2.202281955e+00 3.96 -2.219788563e+00 -1.641333130e+00 -2.211048197e+00 3.98 -2.212540448e+00 -1.645841553e+00 -2.219114918e+00 4.00 -2.204485904e+00 -1.649879233e+00 -2.226470305e+00 4.02 -2.195648070e+00 -1.653438492e+00 -2.233104581e+00 4.04 -2.186050547e+00 -1.656513063e+00 -2.239009915e+00 4.06 -2.175717319e+00 -1.659098022e+00 -2.244180331e+00 4.08 -2.164672680e+00 -1.661189727e+00 -2.248611630e+00 4.10 -2.152941163e+00 -1.662785750e+00 -2.252301293e+00 4.12 -2.140547476e+00 -1.663884816e+00 -2.255248403e+00 4.14 -2.127516443e+00 -1.664486737e+00 -2.257453555e+00 4.16 -2.113872943e+00 -1.664592355e+00 -2.258918775e+00 4.18 -2.099641858e+00 -1.664203479e+00 -2.259648138e+00 4.20 -2.084848021e+00 -1.663322830e+00 -2.259743107e+00 4.22 -2.069516173e+00 -1.661953980e+00 -2.259669247e+00 4.24 -2.053670914e+00 -1.660101297e+00 -2.259365671e+00 4.26 -2.037336668e+00 -1.657769895e+00 -2.257206788e+00 4.28 -2.020537641e+00 -1.654965577e+00 -2.254307586e+00 4.30 -2.003297787e+00 -1.651694789e+00 -2.250716538e+00 4.32 -1.985640782e+00 -1.647964568e+00 -2.246444331e+00 4.34 -1.967589986e+00 -1.643782497e+00 -2.241502415e+00 4.36 -1.949168422e+00 -1.639156657e+00 -2.235902940e+00 4.38 -1.930398753e+00 -1.634095588e+00 -2.229658694e+00 4.40 -1.911303256e+00 -1.628608245e+00 -2.222783050e+00 4.42 -1.891903805e+00 -1.622703955e+00 -2.215289903e+00 4.44 -1.872221851e+00 -1.616392384e+00 -2.207193621e+00 4.46 -1.852278411e+00 -1.609683499e+00 -2.198508991e+00 4.48 -1.832094052e+00 -1.602587530e+00 -2.189251172e+00 4.50 -1.811688875e+00 -1.595114940e+00 -2.179435645e+00 4.52 -1.791082512e+00 -1.587276392e+00 -2.169078172e+00 4.54 -1.770294114e+00 -1.579082719e+00 -2.158194747e+00 4.56 -1.749342341e+00 -1.570544895e+00 -2.146801564e+00 4.58 -1.728245362e+00 -1.561674010e+00 -2.134914971e+00 4.60 -1.707020845e+00 -1.552481242e+00 -2.122551439e+00 4.62 -1.685685961e+00 -1.542977832e+00 -2.109727522e+00 4.64 -1.664257371e+00 -1.533175064e+00 -2.096459829e+00 4.66 -1.642751238e+00 -1.523084243e+00 -2.082764993e+00 4.68 -1.621183217e+00 -1.512716670e+00 -2.068659636e+00 4.70 -1.599568460e+00 -1.502083632e+00 -2.054160352e+00 4.72 -1.577921619e+00 -1.491196373e+00 -2.039283671e+00 4.74 -1.556256845e+00 -1.480066088e+00 -2.024046041e+00 4.76 -1.534587797e+00 -1.468703900e+00 -2.008463807e+00 4.78 -1.512927639e+00 -1.457120848e+00 -1.992553183e+00 4.80 -1.491289053e+00 -1.445327873e+00 -1.976330241e+00 4.82 -1.469684354e+00 -1.433335809e+00 -1.959810887e+00 4.84 -1.448731862e+00 -1.421155364e+00 -1.943010847e+00 4.86 -1.433804740e+00 -1.408797117e+00 -1.925945650e+00 4.88 -1.431647583e+00 -1.396271502e+00 -1.908630617e+00 4.90 -1.422544411e+00 -1.383588806e+00 -1.891080844e+00 4.92 -1.400834394e+00 -1.370759152e+00 -1.873311193e+00 4.94 -1.379227386e+00 -1.357792499e+00 -1.855336281e+00 4.96 -1.357732374e+00 -1.344698632e+00 -1.837170467e+00 4.98 -1.336357916e+00 -1.331487157e+00 -1.818827850e+00 5.00 -1.315112151e+00 -1.318167495e+00 -1.800322255e+00 5.02 -1.294002808e+00 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