# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1997--Liu-X-Y-Ohotnicky-P-P-Adams-J-B-et-al--Al-Mg # implementation = 1997--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 1.297305492e+02 nan 0.84 nan nan nan nan nan nan nan nan 1.196372412e+02 nan 0.86 nan nan nan nan nan nan nan nan 1.104655225e+02 nan 0.88 nan nan nan nan nan 8.849149075e+01 nan nan 1.021523242e+02 nan 0.90 nan nan nan nan nan 8.243840648e+01 nan nan 9.465203406e+01 nan 0.92 nan nan nan nan nan 7.690817003e+01 nan nan 8.788816886e+01 nan 0.94 nan nan nan nan nan 7.180515115e+01 nan nan 8.182154568e+01 nan 0.96 nan nan nan nan nan 6.709019283e+01 nan nan 7.636471635e+01 nan 0.98 nan nan nan nan nan 6.273428669e+01 nan nan 7.142971242e+01 nan 1.00 nan 9.329933134e+01 nan 1.361244330e+02 1.362611841e+02 5.868903917e+01 nan nan 6.694983265e+01 9.172335051e+01 1.02 nan 8.725787984e+01 nan 1.277947892e+02 1.279325310e+02 5.489069361e+01 8.700985299e+01 nan 6.284523546e+01 8.588477791e+01 1.04 nan 8.161011604e+01 nan 1.200907785e+02 1.201972800e+02 5.127660680e+01 8.137581507e+01 nan 5.903872515e+01 8.056867940e+01 1.06 nan 7.631269907e+01 nan 1.129075204e+02 1.129471581e+02 4.780283487e+01 7.625762027e+01 nan 5.548227134e+01 7.573531691e+01 1.08 nan 7.131881457e+01 nan 1.061950592e+02 1.061797977e+02 4.453553230e+01 7.162537531e+01 nan 5.215894495e+01 7.130982875e+01 1.10 nan 6.666164472e+01 nan 9.991139131e+01 9.987120759e+01 4.149025413e+01 6.741535063e+01 nan 4.904339842e+01 6.723494497e+01 1.12 nan 6.236416996e+01 nan 9.399730866e+01 9.395457315e+01 3.862695589e+01 6.355427086e+01 8.774371787e+01 4.610151797e+01 6.346604486e+01 1.14 8.838108676e+01 5.841793448e+01 7.956865046e+01 8.840228830e+01 8.837221432e+01 3.592686153e+01 6.000204869e+01 8.235699818e+01 4.331538675e+01 5.995340952e+01 1.16 8.304943674e+01 5.481387787e+01 7.475211286e+01 8.307592689e+01 8.306942170e+01 3.338051257e+01 5.673250771e+01 7.730093401e+01 4.068222765e+01 5.665181553e+01 1.18 7.800697528e+01 5.152989916e+01 7.028773718e+01 7.803641504e+01 7.805523784e+01 3.096951491e+01 5.372014401e+01 7.264114021e+01 3.818503246e+01 5.353833355e+01 1.20 7.339045280e+01 4.854193406e+01 6.616225354e+01 7.340282443e+01 7.342602042e+01 2.867973478e+01 5.092235477e+01 6.838129270e+01 3.580978678e+01 5.062785364e+01 1.22 6.916482993e+01 4.581325757e+01 6.233031817e+01 6.914643784e+01 6.915775441e+01 2.648987442e+01 4.829309148e+01 6.447356746e+01 3.354471109e+01 4.788749033e+01 1.24 6.528336883e+01 4.331026612e+01 5.875118514e+01 6.522967876e+01 6.521812591e+01 2.438209415e+01 4.579497881e+01 6.087112963e+01 3.137895709e+01 4.529373333e+01 1.26 6.169311705e+01 4.100071836e+01 5.545182009e+01 6.161799674e+01 6.158378043e+01 2.240339078e+01 4.342616016e+01 5.753653520e+01 2.933167913e+01 4.282170167e+01 1.28 5.835185881e+01 3.887003612e+01 5.245079235e+01 5.828123726e+01 5.823162724e+01 2.058983011e+01 4.116760193e+01 5.444473188e+01 2.741729686e+01 4.045692098e+01 1.30 5.525377530e+01 3.690749559e+01 4.970962094e+01 5.519737789e+01 5.513861560e+01 1.893003571e+01 3.899745162e+01 5.158554243e+01 2.562453675e+01 3.819982383e+01 1.32 5.238337303e+01 3.509101980e+01 4.719819861e+01 5.234271294e+01 5.228222052e+01 1.742011138e+01 3.689770570e+01 4.893625161e+01 2.393775601e+01 3.604679016e+01 1.34 4.972321725e+01 3.339608788e+01 4.487737052e+01 4.969583725e+01 4.963969780e+01 1.604240190e+01 3.485791218e+01 4.647409426e+01 2.234095296e+01 3.399581302e+01 1.36 4.725352117e+01 3.180515183e+01 4.272677555e+01 4.723743989e+01 4.719027789e+01 1.478265434e+01 3.287987057e+01 4.417985759e+01 2.082537467e+01 3.203922546e+01 1.38 4.495814052e+01 3.030284372e+01 4.073879281e+01 4.494698110e+01 4.491211621e+01 1.363759597e+01 3.096691011e+01 4.203954383e+01 1.941005828e+01 3.017739523e+01 1.40 4.280477343e+01 2.887219314e+01 3.888991326e+01 4.279804457e+01 4.277896839e+01 1.259813424e+01 2.915000910e+01 4.002870623e+01 1.808931783e+01 2.839563566e+01 1.42 4.076747650e+01 2.750286397e+01 3.716092642e+01 4.076652884e+01 4.076587150e+01 1.165780872e+01 2.745800535e+01 3.812376578e+01 1.685259668e+01 2.668150471e+01 1.44 3.882941335e+01 2.619401157e+01 3.553400009e+01 3.883826534e+01 3.885764796e+01 1.080954874e+01 2.588256342e+01 3.631283882e+01 1.568971257e+01 2.503560353e+01 1.46 3.700996217e+01 2.494037313e+01 3.398676881e+01 3.702657963e+01 3.706275843e+01 1.004246123e+01 2.441067668e+01 3.460823135e+01 1.459260878e+01 2.350368916e+01 1.48 3.529984227e+01 2.373066349e+01 3.250264156e+01 3.532339376e+01 3.537151612e+01 9.345053391e+00 2.302936388e+01 3.300266250e+01 1.355522643e+01 2.207641905e+01 1.50 3.368689929e+01 2.255558855e+01 3.107426423e+01 3.371913719e+01 3.377433118e+01 8.710880038e+00 2.172733537e+01 3.148730438e+01 1.257380222e+01 2.074265298e+01 1.52 3.216209957e+01 2.140976412e+01 2.969276334e+01 3.220494611e+01 3.226288390e+01 8.131986657e+00 2.049809822e+01 3.005564871e+01 1.164624957e+01 1.949849635e+01 1.54 3.071718428e+01 2.029417403e+01 2.835545754e+01 3.077293395e+01 3.082985624e+01 7.604405872e+00 1.933201785e+01 2.870053088e+01 1.076720688e+01 1.833012955e+01 1.56 2.935145473e+01 1.920835153e+01 2.706246306e+01 2.941620409e+01 2.946843193e+01 7.124321568e+00 1.822065365e+01 2.741809585e+01 9.929972407e+00 1.722760905e+01 1.58 2.806507667e+01 1.814801256e+01 2.581162952e+01 2.812825157e+01 2.817221162e+01 6.684640480e+00 1.715787244e+01 2.620379460e+01 9.132290721e+00 1.618507760e+01 1.60 2.684654786e+01 1.710700343e+01 2.460060725e+01 2.689975312e+01 2.693261529e+01 6.279539984e+00 1.613701251e+01 2.504759209e+01 8.373020369e+00 1.519461167e+01 1.62 2.568731673e+01 1.607865772e+01 2.342820904e+01 2.572456731e+01 2.574388053e+01 5.903187933e+00 1.515268683e+01 2.394394901e+01 7.650234541e+00 1.424967046e+01 1.64 2.458579659e+01 1.505669428e+01 2.229740544e+01 2.460049465e+01 2.460403219e+01 5.551156745e+00 1.421522835e+01 2.288562061e+01 6.961373223e+00 1.334746775e+01 1.66 2.353353805e+01 1.404008965e+01 2.121201323e+01 2.352461108e+01 2.351283304e+01 5.222825972e+00 1.332589208e+01 2.186625481e+01 6.311532547e+00 1.248496545e+01 1.68 2.252003722e+01 1.304996981e+01 2.016760255e+01 2.249063492e+01 2.246583984e+01 4.914053838e+00 1.247720149e+01 2.087933329e+01 5.706587267e+00 1.165798195e+01 1.70 2.153848046e+01 1.208925366e+01 1.915703999e+01 2.149284404e+01 2.145798232e+01 4.620538956e+00 1.166261020e+01 1.991931888e+01 5.141364030e+00 1.086500619e+01 1.72 2.058240182e+01 1.115596117e+01 1.817442983e+01 2.052560863e+01 2.048378022e+01 4.339799415e+00 1.087573244e+01 1.898222609e+01 4.611369056e+00 1.010466022e+01 1.74 1.964707652e+01 1.024892823e+01 1.721464483e+01 1.958472278e+01 1.953868745e+01 4.070769070e+00 1.011112018e+01 1.806554716e+01 4.115656898e+00 9.376439647e+00 1.76 1.873048294e+01 9.367034500e+00 1.627416556e+01 1.866895113e+01 1.862102215e+01 3.810931518e+00 9.366528437e+00 1.716763751e+01 3.654129839e+00 8.680102779e+00 1.78 1.783386641e+01 8.509197248e+00 1.536538944e+01 1.777702265e+01 1.772908161e+01 3.557499844e+00 8.640497196e+00 1.628804044e+01 3.225534327e+00 8.017440921e+00 1.80 1.695708892e+01 7.673774647e+00 1.448594777e+01 1.690751208e+01 1.686167760e+01 3.307678619e+00 7.930889200e+00 1.542511353e+01 2.828419050e+00 7.387662313e+00 1.82 1.609856283e+01 6.865720769e+00 1.363082628e+01 1.605971378e+01 1.601957730e+01 3.059369537e+00 7.238552843e+00 1.457685823e+01 2.459952998e+00 6.788717953e+00 1.84 1.525551381e+01 6.103201530e+00 1.279629348e+01 1.523004160e+01 1.519871163e+01 2.811219712e+00 6.564867244e+00 1.373990075e+01 2.116962270e+00 6.217778125e+00 1.86 1.442444774e+01 5.386151038e+00 1.197965239e+01 1.441412036e+01 1.439401774e+01 2.562395159e+00 5.910370083e+00 1.291089804e+01 1.795934845e+00 5.671534397e+00 1.88 1.360663010e+01 4.712424082e+00 1.118228710e+01 1.361020141e+01 1.360229460e+01 2.314067998e+00 5.276179952e+00 1.208985493e+01 1.493655069e+00 5.150953242e+00 1.90 1.279950687e+01 4.078788763e+00 1.040149950e+01 1.281481798e+01 1.281926673e+01 2.065319378e+00 4.662660400e+00 1.127448955e+01 1.207840762e+00 4.654532988e+00 1.92 1.199988901e+01 3.481774354e+00 9.633806720e+00 1.202445459e+01 1.204066050e+01 1.814828224e+00 4.071866734e+00 1.046299653e+01 9.361733105e-01 4.180152821e+00 1.94 1.120621927e+01 2.918323484e+00 8.876223167e+00 1.123751532e+01 1.126400731e+01 1.561254613e+00 3.509611508e+00 9.653791320e+00 6.772376284e-01 3.725944617e+00 1.96 1.041619475e+01 2.385180363e+00 8.125734256e+00 1.045279016e+01 1.048765709e+01 1.303212889e+00 2.976363311e+00 8.844596932e+00 4.293645648e-01 3.288586262e+00 1.98 9.627484783e+00 1.879977321e+00 7.380687922e+00 9.667518759e+00 9.708406660e+00 1.040522103e+00 2.472137603e+00 8.047287962e+00 1.903788004e-01 2.865049521e+00 2.00 8.838770117e+00 1.401474789e+00 6.642123194e+00 8.879993747e+00 8.924132178e+00 7.750395278e-01 1.995389366e+00 7.274962292e+00 -4.153149669e-02 2.454167570e+00 2.02 8.047761425e+00 9.474506133e-01 5.909645491e+00 8.088343627e+00 8.133341247e+00 5.067811022e-01 1.544055611e+00 6.525347775e+00 -2.681483688e-01 2.053552936e+00 2.04 7.271760528e+00 5.184908669e-01 5.196215171e+00 7.310279037e+00 7.354181511e+00 2.451989407e-01 1.122654798e+00 5.804090111e+00 -4.862632245e-01 1.670275214e+00 2.06 6.530220771e+00 1.171418771e-01 4.516130430e+00 6.565689108e+00 6.606954045e+00 -1.424690234e-03 7.367955897e-01 5.117978288e+00 -6.919383908e-01 1.312527128e+00 2.08 5.821546293e+00 -2.567338909e-01 3.869329818e+00 5.853948345e+00 5.891347530e+00 -2.330174177e-01 3.843235820e-01 4.466112993e+00 -8.858429700e-01 9.783310657e-01 2.10 5.144415844e+00 -6.023965408e-01 3.256063622e+00 5.174152607e+00 5.206822028e+00 -4.499089730e-01 6.261257190e-02 3.848618535e+00 -1.068177371e+00 6.661569836e-01 2.12 4.500899081e+00 -9.209582802e-01 2.676503970e+00 4.527294337e+00 4.554303930e+00 -6.527260206e-01 -2.308265031e-01 3.265164042e+00 -1.238909620e+00 3.745493186e-01 2.14 3.893312933e+00 -1.213302526e+00 2.130394428e+00 3.914428879e+00 3.934604356e+00 -8.420821831e-01 -4.983762295e-01 2.714120127e+00 -1.399062154e+00 1.020534929e-01 2.16 3.319774193e+00 -1.480224171e+00 1.617163171e+00 3.333986635e+00 3.346403573e+00 -1.018789711e+00 -7.424053900e-01 2.193659573e+00 -1.549081317e+00 -1.528134442e-01 2.18 2.777846814e+00 -1.722836153e+00 1.138229556e+00 2.784584992e+00 2.789308645e+00 -1.184244063e+00 -9.649240672e-01 1.701956726e+00 -1.687220552e+00 -3.918444124e-01 2.20 2.264867549e+00 -1.942786445e+00 6.927859623e-01 2.264167643e+00 2.261825033e+00 -1.340721208e+00 -1.167751994e+00 1.237882051e+00 -1.813918225e+00 -6.168027357e-01 2.22 1.779243920e+00 -2.141733912e+00 2.800585740e-01 1.771569936e+00 1.763042598e+00 -1.489417965e+00 -1.352047758e+00 8.007499813e-01 -1.929958694e+00 -8.289818188e-01 2.24 1.320138800e+00 -2.321141929e+00 -9.869147350e-02 1.306764977e+00 1.293097163e+00 -1.627942238e+00 -1.519294286e+00 3.904399104e-01 -2.036259508e+00 -1.029421955e+00 2.26 8.867316050e-01 -2.482440809e+00 -4.446953239e-01 8.691621480e-01 8.515647608e-01 -1.756120604e+00 -1.671203294e+00 7.146474646e-03 -2.134077998e+00 -1.219157267e+00 2.28 4.784372768e-01 -2.627163355e+00 -7.604268629e-01 4.580739930e-01 4.377107056e-01 -1.873746082e+00 -1.809382534e+00 -3.497432761e-01 -2.224707629e+00 -1.398667739e+00 2.30 9.567749035e-02 -2.756256220e+00 -1.048627200e+00 7.347648105e-02 5.127547175e-02 -1.980249607e+00 -1.935415850e+00 -6.807184295e-01 -2.308076251e+00 -1.566246161e+00 2.32 -2.615983529e-01 -2.870427323e+00 -1.311887987e+00 -2.850171296e-01 -3.084359063e-01 -2.074788052e+00 -2.050883912e+00 -9.861971559e-01 -2.384224518e+00 -1.722213235e+00 2.34 -5.935301534e-01 -2.970737157e+00 -1.552612857e+00 -6.178233848e-01 -6.421166161e-01 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