# 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 = Al3Mg # 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 8.990014691e+01 nan nan 1.02 8.404471450e+01 nan nan 1.04 7.859555093e+01 nan nan 1.06 7.350850319e+01 nan nan 1.08 6.874342515e+01 nan nan 1.10 6.432604750e+01 8.750345375e+01 nan 1.12 6.027035144e+01 nan nan 1.14 5.654049330e+01 7.702679383e+01 8.546247286e+01 1.16 5.308466546e+01 7.232533929e+01 8.042619970e+01 1.18 4.989579778e+01 6.797993078e+01 7.563892647e+01 1.20 4.696415910e+01 6.398782746e+01 7.118220929e+01 1.22 4.428071612e+01 6.027566367e+01 6.705593650e+01 1.24 4.183267082e+01 5.680129204e+01 6.325430861e+01 1.26 3.961651510e+01 5.360752210e+01 5.975191470e+01 1.28 3.759016773e+01 5.069592127e+01 5.650612828e+01 1.30 3.572573788e+01 4.801277566e+01 5.348392217e+01 1.32 3.400216372e+01 4.554204136e+01 5.068004602e+01 1.34 3.239479321e+01 4.326713423e+01 4.808407314e+01 1.36 3.087886015e+01 4.114769993e+01 4.568456958e+01 1.38 2.943493436e+01 3.917140367e+01 4.346305832e+01 1.40 2.805525965e+01 3.733610674e+01 4.137965315e+01 1.42 2.674472813e+01 3.564837732e+01 3.941534423e+01 1.44 2.550221846e+01 3.409284724e+01 3.756605579e+01 1.46 2.430501353e+01 3.263710684e+01 3.584297396e+01 1.48 2.313186852e+01 3.125864846e+01 3.421214621e+01 1.50 2.198960808e+01 2.993936904e+01 3.266143319e+01 1.52 2.089191309e+01 2.867462562e+01 3.119473659e+01 1.54 1.983594895e+01 2.745371115e+01 2.981293348e+01 1.56 1.880991686e+01 2.626159184e+01 2.849572376e+01 1.58 1.780612502e+01 2.510166068e+01 2.723753330e+01 1.60 1.682158647e+01 2.398057520e+01 2.603804541e+01 1.62 1.586074228e+01 2.290494809e+01 2.490800664e+01 1.64 1.491553901e+01 2.187541735e+01 2.385346418e+01 1.66 1.398257506e+01 2.088432395e+01 2.285682872e+01 1.68 1.308420030e+01 1.991826578e+01 2.190520509e+01 1.70 1.222014355e+01 1.897005372e+01 2.098698906e+01 1.72 1.138508862e+01 1.803994507e+01 2.009266506e+01 1.74 1.057689966e+01 1.712729066e+01 1.922355013e+01 1.76 9.785458677e+00 1.623116513e+01 1.838060069e+01 1.78 9.010177713e+00 1.536071883e+01 1.755307188e+01 1.80 8.255224878e+00 1.451744159e+01 1.674268489e+01 1.82 7.525120654e+00 1.370535965e+01 1.595052697e+01 1.84 6.825392762e+00 1.293099208e+01 1.517780682e+01 1.86 6.156442395e+00 1.219121916e+01 1.442446419e+01 1.88 5.517101151e+00 1.147277283e+01 1.368565872e+01 1.90 4.910482245e+00 1.076800326e+01 1.295711947e+01 1.92 4.334986815e+00 1.006834840e+01 1.223255111e+01 1.94 3.786497980e+00 9.372039048e+00 1.150882265e+01 1.96 3.263566371e+00 8.680080547e+00 1.078672054e+01 1.98 2.765092802e+00 7.992461523e+00 1.006633850e+01 2.00 2.292396485e+00 7.310319171e+00 9.347437158e+00 2.02 1.845527525e+00 6.634729617e+00 8.629396821e+00 2.04 1.427135847e+00 5.973932447e+00 7.921778904e+00 2.06 1.038494195e+00 5.337137349e+00 7.237300349e+00 2.08 6.774066025e-01 4.725878821e+00 6.578450371e+00 2.10 3.394909552e-01 4.141135359e+00 5.946296572e+00 2.12 2.182297352e-02 3.586419576e+00 5.345285609e+00 2.14 -2.769410110e-01 3.063143758e+00 4.776948123e+00 2.16 -5.564925521e-01 2.571074736e+00 4.236222280e+00 2.18 -8.167370171e-01 2.110957431e+00 3.718330200e+00 2.20 -1.057702596e+00 1.681656578e+00 3.220837320e+00 2.22 -1.279932592e+00 1.281610386e+00 2.742360211e+00 2.24 -1.484200985e+00 9.101339222e-01 2.283213861e+00 2.26 -1.670919299e+00 5.649903332e-01 1.843764883e+00 2.28 -1.839760583e+00 2.431218145e-01 1.425498272e+00 2.30 -1.989724114e+00 -5.792673542e-02 1.030396163e+00 2.32 -2.120208516e+00 -3.400428049e-01 6.601486713e-01 2.34 -2.230656467e+00 -6.048528027e-01 3.163946710e-01 2.36 -2.324177324e+00 -8.534294409e-01 5.200467156e-04 2.38 -2.404525101e+00 -1.085446876e+00 -2.862607977e-01 2.40 -2.473469123e+00 -1.299899924e+00 -5.470369624e-01 2.42 -2.533514316e+00 -1.495884372e+00 -7.871641820e-01 2.44 -2.586204148e+00 -1.672107686e+00 -1.007104527e+00 2.46 -2.632261427e+00 -1.829445624e+00 -1.207408369e+00 2.48 -2.672157721e+00 -1.969527857e+00 -1.389103740e+00 2.50 -2.706803438e+00 -2.092448426e+00 -1.553241803e+00 2.52 -2.736476637e+00 -2.199797785e+00 -1.700483821e+00 2.54 -2.760846338e+00 -2.294624708e+00 -1.832491939e+00 2.56 -2.780140002e+00 -2.377850382e+00 -1.952181110e+00 2.58 -2.794722279e+00 -2.450333283e+00 -2.061182832e+00 2.60 -2.804897873e+00 -2.512966932e+00 -2.160637991e+00 2.62 -2.810924323e+00 -2.566751462e+00 -2.251922070e+00 2.64 -2.812845161e+00 -2.612245754e+00 -2.336151670e+00 2.66 -2.811118299e+00 -2.650178330e+00 -2.414385674e+00 2.68 -2.805855922e+00 -2.681785136e+00 -2.487539857e+00 2.70 -2.796970788e+00 -2.707992843e+00 -2.556128832e+00 2.72 -2.784185162e+00 -2.729171988e+00 -2.620104953e+00 2.74 -2.766965186e+00 -2.745743384e+00 -2.678778470e+00 2.76 -2.745280377e+00 -2.758277946e+00 -2.731369879e+00 2.78 -2.721175121e+00 -2.767220515e+00 -2.777128171e+00 2.80 -2.694978175e+00 -2.772859670e+00 -2.815290598e+00 2.82 -2.666677573e+00 -2.775557069e+00 -2.845204908e+00 2.84 -2.636277309e+00 -2.775487570e+00 -2.868535295e+00 2.86 -2.603652055e+00 -2.772649561e+00 -2.886826023e+00 2.88 -2.569127769e+00 -2.767377167e+00 -2.900090951e+00 2.90 -2.534888986e+00 -2.759786122e+00 -2.908405887e+00 2.92 -2.503181048e+00 -2.749839899e+00 -2.912043092e+00 2.94 -2.473422879e+00 -2.738098204e+00 -2.911406899e+00 2.96 -2.444963311e+00 -2.725247226e+00 -2.906931593e+00 2.98 -2.417605107e+00 -2.711669105e+00 -2.899151939e+00 3.00 -2.390294265e+00 -2.697556560e+00 -2.888555027e+00 3.02 -2.361999490e+00 -2.682715228e+00 -2.875247092e+00 3.04 -2.332237212e+00 -2.666973966e+00 -2.859571390e+00 3.06 -2.300635133e+00 -2.650194803e+00 -2.841877424e+00 3.08 -2.266985889e+00 -2.632535653e+00 -2.822518072e+00 3.10 -2.231635700e+00 -2.614062128e+00 -2.801344035e+00 3.12 -2.195435832e+00 -2.594713183e+00 -2.778055743e+00 3.14 -2.159220864e+00 -2.574379217e+00 -2.752055558e+00 3.16 -2.123610896e+00 -2.553084505e+00 -2.722741236e+00 3.18 -2.089050967e+00 -2.531288761e+00 -2.690114986e+00 3.20 -2.055744185e+00 -2.508791242e+00 -2.655142732e+00 3.22 -2.023632830e+00 -2.485521424e+00 -2.618931229e+00 3.24 -1.992380001e+00 -2.461428748e+00 -2.582446831e+00 3.26 -1.961379191e+00 -2.436416682e+00 -2.546555232e+00 3.28 -1.930245026e+00 -2.410360165e+00 -2.512240703e+00 3.30 -1.899201791e+00 -2.383354717e+00 -2.480117866e+00 3.32 -1.868792231e+00 -2.356962286e+00 -2.450188790e+00 3.34 -1.839706392e+00 -2.331236773e+00 -2.422261760e+00 3.36 -1.812211786e+00 -2.305608172e+00 -2.395838362e+00 3.38 -1.786540318e+00 -2.279388049e+00 -2.370375705e+00 3.40 -1.763024181e+00 -2.252195302e+00 -2.345698749e+00 3.42 -1.741480817e+00 -2.223558361e+00 -2.321668347e+00 3.44 -1.721557654e+00 -2.193189018e+00 -2.298223536e+00 3.46 -1.702839046e+00 -2.161949044e+00 -2.275423568e+00 3.48 -1.684872056e+00 -2.131377003e+00 -2.253272138e+00 3.50 -1.667230957e+00 -2.102283899e+00 -2.231714453e+00 3.52 -1.650252953e+00 -2.073002280e+00 -2.210337547e+00 3.54 -1.634021313e+00 -2.043669188e+00 -2.188609724e+00 3.56 -1.618372663e+00 -2.014658853e+00 -2.166243144e+00 3.58 -1.603102393e+00 -1.986286826e+00 -2.142886754e+00 3.60 -1.588029973e+00 -1.958783505e+00 -2.118178136e+00 3.62 -1.573040281e+00 -1.932198241e+00 -2.091777782e+00 3.64 -1.558059980e+00 -1.906524441e+00 -2.063382048e+00 3.66 -1.543164593e+00 -1.881761429e+00 -2.033833621e+00 3.68 -1.528823752e+00 -1.857909848e+00 -2.003683469e+00 3.70 -1.515460913e+00 -1.834930314e+00 -1.972850300e+00 3.72 -1.502973292e+00 -1.812744905e+00 -1.941322648e+00 3.74 -1.490464608e+00 -1.790988833e+00 -1.909209390e+00 3.76 -1.477755358e+00 -1.769520425e+00 -1.876617012e+00 3.78 -1.464725290e+00 -1.748322480e+00 -1.843630720e+00 3.80 -1.451282185e+00 -1.727393967e+00 -1.810339224e+00 3.82 -1.437526398e+00 -1.706755495e+00 -1.777480460e+00 3.84 -1.423740942e+00 -1.686439788e+00 -1.746304761e+00 3.86 -1.410232972e+00 -1.666450676e+00 -1.718073504e+00 3.88 -1.396574524e+00 -1.646764366e+00 -1.691580241e+00 3.90 -1.382434243e+00 -1.627360732e+00 -1.665782630e+00 3.92 -1.367848687e+00 -1.608253864e+00 -1.640772466e+00 3.94 -1.352896058e+00 -1.589521287e+00 -1.616777955e+00 3.96 -1.337672465e+00 -1.571250906e+00 -1.594060868e+00 3.98 -1.322251579e+00 -1.553507509e+00 -1.572864611e+00 4.00 -1.306696495e+00 -1.536264537e+00 -1.553441541e+00 4.02 -1.291071741e+00 -1.519428849e+00 -1.535949762e+00 4.04 -1.275442803e+00 -1.502949063e+00 -1.520397306e+00 4.06 -1.259848791e+00 -1.486972045e+00 -1.506754703e+00 4.08 -1.244286201e+00 -1.471781891e+00 -1.494963581e+00 4.10 -1.228751582e+00 -1.457684578e+00 -1.484729476e+00 4.12 -1.213241895e+00 -1.444242432e+00 -1.475572781e+00 4.14 -1.197742914e+00 -1.431354851e+00 -1.467168812e+00 4.16 -1.182209224e+00 -1.418934379e+00 -1.459286254e+00 4.18 -1.166581425e+00 -1.406848469e+00 -1.451714386e+00 4.20 -1.150797367e+00 -1.394991818e+00 -1.444315854e+00 4.22 -1.134791719e+00 -1.383263259e+00 -1.436999272e+00 4.24 -1.118523284e+00 -1.371565923e+00 -1.429694690e+00 4.26 -1.102007350e+00 -1.359818370e+00 -1.422336455e+00 4.28 -1.085262726e+00 -1.347940641e+00 -1.414851839e+00 4.30 -1.068310384e+00 -1.335861210e+00 -1.407150672e+00 4.32 -1.051177293e+00 -1.323512726e+00 -1.399084062e+00 4.34 -1.033882513e+00 -1.310821637e+00 -1.390582692e+00 4.36 -1.016424554e+00 -1.297733055e+00 -1.381611839e+00 4.38 -9.987988953e-01 -1.284200982e+00 -1.372150053e+00 4.40 -9.810383528e-01 -1.270212972e+00 -1.362221647e+00 4.42 -9.631564646e-01 -1.255791096e+00 -1.351878036e+00 4.44 -9.450892239e-01 -1.240964227e+00 -1.341168507e+00 4.46 -9.267735479e-01 -1.225760677e+00 -1.330139359e+00 4.48 -9.081496746e-01 -1.210202446e+00 -1.318833588e+00 4.50 -8.891599979e-01 -1.194304594e+00 -1.307291065e+00 4.52 -8.697456203e-01 -1.178085682e+00 -1.295532662e+00 4.54 -8.498417483e-01 -1.161540388e+00 -1.283539612e+00 4.56 -8.293929984e-01 -1.144658766e+00 -1.271284314e+00 4.58 -8.083544605e-01 -1.127432095e+00 -1.258735195e+00 4.60 -7.866992577e-01 -1.109851406e+00 -1.245856155e+00 4.62 -7.644542440e-01 -1.091912822e+00 -1.232612203e+00 4.64 -7.416406848e-01 -1.073627790e+00 -1.218975062e+00 4.66 -7.182684841e-01 -1.055014907e+00 -1.204954734e+00 4.68 -6.943564736e-01 -1.036094079e+00 -1.190692397e+00 4.70 -6.699329246e-01 -1.016855171e+00 -1.176369236e+00 4.72 -6.450367372e-01 -9.972885583e-01 -1.162189454e+00 4.74 -6.197191441e-01 -9.774286983e-01 -1.148089447e+00 4.76 -5.940480375e-01 -9.573406155e-01 -1.133767386e+00 4.78 -5.681033752e-01 -9.370997368e-01 -1.119240979e+00 4.80 -5.419753718e-01 -9.167880305e-01 -1.104549422e+00 4.82 -5.157642409e-01 -8.964933688e-01 -1.089733401e+00 4.84 -4.895786750e-01 -8.763077000e-01 -1.074833813e+00 4.86 -4.635218016e-01 -8.562962950e-01 -1.059860571e+00 4.88 -4.377225002e-01 -8.364974570e-01 -1.044786576e+00 4.90 -4.123605174e-01 -8.169696175e-01 -1.029588313e+00 4.92 -3.876225640e-01 -7.977814048e-01 -1.014255221e+00 4.94 -3.636977599e-01 -7.789988697e-01 -9.987746580e-01 4.96 -3.406940978e-01 -7.606741685e-01 -9.831316502e-01 4.98 -3.182433803e-01 -7.428186648e-01 -9.672921551e-01 5.00 -2.963590480e-01 -7.254176221e-01 -9.512116303e-01 5.02 -2.751559134e-01 -7.084181513e-01 -9.348422575e-01 5.04 -2.547478092e-01 -6.917564154e-01 -9.181325836e-01 5.06 -2.352493686e-01 -6.753640877e-01 -9.010270800e-01 5.08 -2.167788773e-01 -6.591754684e-01 -8.834723491e-01 5.10 -1.994739347e-01 -6.431620542e-01 -8.654518231e-01 5.12 -1.834633317e-01 -6.273115438e-01 -8.469650833e-01 5.14 -1.688242368e-01 -6.116128137e-01 -8.280128963e-01 5.16 -1.556021728e-01 -5.960556568e-01 -8.085967420e-01 5.18 -1.437629505e-01 -5.806209000e-01 -7.887034917e-01 5.20 -1.332551281e-01 -5.652982752e-01 -7.683321122e-01 5.22 -1.240258056e-01 -5.500887394e-01 -7.474975562e-01 5.24 -1.160174397e-01 -5.349957212e-01 -7.262174237e-01 5.26 -1.091721336e-01 -5.199962445e-01 -7.045124434e-01 5.28 -1.034282668e-01 -5.048939120e-01 -6.824067323e-01 5.30 -9.872065344e-02 -4.896303211e-01 -6.599277426e-01 5.32 -9.498096176e-02 -4.741897802e-01 -6.371068415e-01 5.34 -9.213825107e-02 -4.585574247e-01 -6.139798284e-01 5.36 -9.011934226e-02 -4.427203952e-01 -5.905865999e-01 5.38 -8.884927297e-02 -4.266679243e-01 -5.669713758e-01 5.40 -8.825061395e-02 -4.103882213e-01 -5.431786447e-01 5.42 -8.823450048e-02 -3.938413670e-01 -5.192125924e-01 5.44 -8.867269871e-02 -3.769753905e-01 -4.950610506e-01 5.46 -8.941892361e-02 -3.597698849e-01 -4.707552272e-01 5.48 -9.037068721e-02 -3.423512084e-01 -4.463510981e-01 5.50 -9.142633101e-02 -3.247898868e-01 -4.219099474e-01 5.52 -9.248410873e-02 -3.070961734e-01 -3.974983341e-01 5.54 -9.344210205e-02 -2.892817920e-01 -3.731875206e-01 5.56 -9.419828273e-02 -2.713593162e-01 -3.490535787e-01 5.58 -9.465051569e-02 -2.533420153e-01 -3.251774217e-01 5.60 -9.469653410e-02 -2.352432664e-01 -3.016443646e-01 5.62 -9.423455252e-02 -2.170771973e-01 -2.785456480e-01 5.64 -9.317901139e-02 -1.988711553e-01 -2.559973153e-01 5.66 -9.170252865e-02 -1.806622009e-01 -2.341351123e-01 5.68 -8.984274457e-02 -1.624857342e-01 -2.130984000e-01 5.70 -8.753494670e-02 -1.444531809e-01 -1.930295618e-01 5.72 -8.471416329e-02 -1.270466363e-01 -1.740632739e-01 5.74 -8.131422046e-02 -1.108610812e-01 -1.562982121e-01 5.76 -7.726765539e-02 -9.650942002e-02 -1.398198359e-01 5.78 -7.250534143e-02 -8.463666186e-02 -1.246631273e-01 5.80 -6.695620983e-02 -7.500378667e-02 -1.108273694e-01 5.82 -6.054687923e-02 -6.641171686e-02 -9.830751455e-02 5.84 -5.320057157e-02 -5.873016918e-02 -8.709305687e-02 5.86 -4.481272946e-02 -5.194763221e-02 -7.717051561e-02 5.88 -3.534336966e-02 -4.604936877e-02 -6.852460178e-02 5.90 -2.537944311e-02 -4.101793850e-02 -6.113584723e-02 5.92 -1.596272833e-02 -3.683343686e-02 -5.498067941e-02 5.94 -8.142383111e-03 -3.347369921e-02 -5.003195981e-02 5.96 -2.937847318e-03 -3.091460840e-02 -4.625927676e-02 5.98 -1.218441079e-03 -2.913029659e-02 -4.362907932e-02 6.00 -7.115984943e-04 -2.809345549e-02 -4.210497658e-02