# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Mendelev-M-I-Zhang-F-Ye-Z-et-al--Al-Sm # implementation = 2015--Mendelev-M-I--Al-Sm--LAMMPS--ipr1 # composition = AlSm3 # 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 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 nan nan nan 1.16 4.568622135e+04 nan nan 1.18 3.963828013e+04 nan nan 1.20 3.399053554e+04 nan nan 1.22 2.871028360e+04 nan nan 1.24 2.376809630e+04 nan nan 1.26 1.922117650e+04 nan nan 1.28 1.551074882e+04 nan nan 1.30 1.254464914e+04 3.633557382e+04 nan 1.32 1.016814156e+04 3.133914959e+04 4.085033991e+04 1.34 8.259787453e+03 2.664079262e+04 3.572440770e+04 1.36 6.723935752e+03 2.221888507e+04 3.089970616e+04 1.38 5.485098110e+03 1.823838583e+04 2.635479338e+04 1.40 4.483562433e+03 1.499169610e+04 2.206983228e+04 1.42 3.672045473e+03 1.234682411e+04 1.821425894e+04 1.44 3.013054306e+03 1.018743170e+04 1.505387533e+04 1.46 2.476799534e+03 8.420608292e+03 1.246429053e+04 1.48 2.039544622e+03 6.972093862e+03 1.033805675e+04 1.50 1.682338971e+03 5.782343680e+03 8.588873082e+03 1.52 1.390020083e+03 4.803358700e+03 7.147266170e+03 1.54 1.150388806e+03 3.996375682e+03 5.957039874e+03 1.56 9.536267475e+02 3.330049768e+03 4.972630972e+03 1.58 7.918228383e+02 2.778999776e+03 4.157073371e+03 1.60 6.585780990e+02 2.322612612e+03 3.480303808e+03 1.62 5.486942084e+02 1.944075107e+03 2.917800489e+03 1.64 4.579421327e+02 1.629638316e+03 2.449528344e+03 1.66 3.828857962e+02 1.368047634e+03 2.059095283e+03 1.68 3.207362932e+02 1.150082260e+03 1.733073885e+03 1.70 2.692192498e+02 9.681934352e+02 1.460465786e+03 1.72 2.264618759e+02 8.162026074e+02 1.232227731e+03 1.74 1.909197000e+02 6.890347412e+02 1.040899800e+03 1.76 1.613262346e+02 5.825045215e+02 8.803220237e+02 1.78 1.366402582e+02 4.931552593e+02 7.454054100e+02 1.80 1.160019099e+02 4.181214777e+02 6.319397011e+02 1.82 9.871050919e+01 3.550287449e+02 5.364361708e+02 1.84 8.419253455e+01 3.019127511e+02 4.559889118e+02 1.86 7.197675174e+01 2.571437881e+02 3.881697748e+02 1.88 6.167460780e+01 2.193714954e+02 3.309478931e+02 1.90 5.296631292e+01 1.874724614e+02 2.826214075e+02 1.92 4.558789779e+01 1.605056570e+02 2.417644683e+02 1.94 3.932217743e+01 1.376808150e+02 2.071812554e+02 1.96 3.398965245e+01 1.183371737e+02 1.778751857e+02 1.98 2.943964408e+01 1.019225413e+02 1.530120114e+02 2.00 2.554339244e+01 8.797323949e+01 1.318897664e+02 2.02 2.219125919e+01 7.610087254e+01 1.139183584e+02 2.04 1.929247661e+01 6.597886761e+01 9.860086283e+01 2.06 1.677650870e+01 5.733102004e+01 8.551763722e+01 2.08 1.458814840e+01 4.992415232e+01 7.431744936e+01 2.10 1.268211314e+01 4.355999939e+01 6.471072897e+01 2.12 1.101956669e+01 3.807274734e+01 5.645738307e+01 2.14 9.565559758e+00 3.332544081e+01 4.935690366e+01 2.16 8.288048999e+00 2.920420954e+01 4.323992535e+01 2.18 7.158536909e+00 2.561413613e+01 3.796130265e+01 2.20 6.154252734e+00 2.247743457e+01 3.339622110e+01 2.22 5.257473674e+00 1.973202924e+01 2.943736509e+01 2.24 4.453866965e+00 1.732725700e+01 2.599513916e+01 2.26 3.732296932e+00 1.521972427e+01 2.299496599e+01 2.28 3.082734857e+00 1.337030840e+01 2.037184464e+01 2.30 2.495267780e+00 1.174292358e+01 1.806905315e+01 2.32 1.960359544e+00 1.030536225e+01 1.603893102e+01 2.34 1.469211941e+00 9.030156936e+00 1.424256894e+01 2.36 1.013924631e+00 7.896615287e+00 1.264611183e+01 2.38 5.885542408e-01 6.886690756e+00 1.122084501e+01 2.40 1.893235267e-01 5.982502729e+00 9.942211417e+00 2.42 -1.860165227e-01 5.167589615e+00 8.789534557e+00 2.44 -5.343410609e-01 4.427477526e+00 7.746401226e+00 2.46 -8.556364944e-01 3.750685155e+00 6.799545406e+00 2.48 -1.151035263e+00 3.128749378e+00 5.937611264e+00 2.50 -1.421493989e+00 2.555230252e+00 5.150614671e+00 2.52 -1.668139751e+00 2.025050400e+00 4.429852347e+00 2.54 -1.892443830e+00 1.534169696e+00 3.768307560e+00 2.56 -2.096754825e+00 1.079292188e+00 3.160932780e+00 2.58 -2.284366871e+00 6.575756603e-01 2.603147426e+00 2.60 -2.458877853e+00 2.663485205e-01 2.090095455e+00 2.62 -2.623010090e+00 -9.711710478e-02 1.617180908e+00 2.64 -2.778764143e+00 -4.357034464e-01 1.179710241e+00 2.66 -2.927825730e+00 -7.521926863e-01 7.727683186e-01 2.68 -3.071120042e+00 -1.048264792e+00 3.919400626e-01 2.70 -3.208581736e+00 -1.324262449e+00 3.393677348e-02 2.72 -3.340667958e+00 -1.578703405e+00 -3.014269377e-01 2.74 -3.466945314e+00 -1.811250892e+00 -6.151882488e-01 2.76 -3.586568651e+00 -2.023952264e+00 -9.109575186e-01 2.78 -3.698893017e+00 -2.219323393e+00 -1.191645225e+00 2.80 -3.803605786e+00 -2.400402087e+00 -1.459436956e+00 2.82 -3.900713557e+00 -2.570387893e+00 -1.715585032e+00 2.84 -3.990341837e+00 -2.731906708e+00 -1.960316500e+00 2.86 -4.072576766e+00 -2.886362882e+00 -2.192974766e+00 2.88 -4.147823320e+00 -3.034847536e+00 -2.412484744e+00 2.90 -4.216873039e+00 -3.177819698e+00 -2.617742324e+00 2.92 -4.280647212e+00 -3.315001293e+00 -2.807924738e+00 2.94 -4.339613370e+00 -3.445720860e+00 -2.982755187e+00 2.96 -4.393675776e+00 -3.569078061e+00 -3.142678932e+00 2.98 -4.442663862e+00 -3.684104421e+00 -3.288904668e+00 3.00 -4.486462733e+00 -3.789849280e+00 -3.423242997e+00 3.02 -4.525064505e+00 -3.885595612e+00 -3.547663941e+00 3.04 -4.558599364e+00 -3.971051883e+00 -3.663531075e+00 3.06 -4.587332583e+00 -4.046459308e+00 -3.771379737e+00 3.08 -4.611541807e+00 -4.112574771e+00 -3.871476505e+00 3.10 -4.631409131e+00 -4.170481507e+00 -3.963863063e+00 3.12 -4.647038816e+00 -4.221238180e+00 -4.048514856e+00 3.14 -4.658478369e+00 -4.265893798e+00 -4.125473351e+00 3.16 -4.665735202e+00 -4.305635593e+00 -4.194924819e+00 3.18 -4.668789546e+00 -4.341553722e+00 -4.257230984e+00 3.20 -4.667627007e+00 -4.374282013e+00 -4.312914743e+00 3.22 -4.662241789e+00 -4.404025204e+00 -4.362606410e+00 3.24 -4.652636353e+00 -4.430831759e+00 -4.406940611e+00 3.26 -4.638823307e+00 -4.454654255e+00 -4.446443372e+00 3.28 -4.620828361e+00 -4.475371427e+00 -4.481440333e+00 3.30 -4.598691695e+00 -4.492815754e+00 -4.511994992e+00 3.32 -4.572598775e+00 -4.507161190e+00 -4.538564843e+00 3.34 -4.542759208e+00 -4.518601398e+00 -4.561515674e+00 3.36 -4.509325237e+00 -4.527022370e+00 -4.580608452e+00 3.38 -4.472531569e+00 -4.532384973e+00 -4.595578373e+00 3.40 -4.432658914e+00 -4.534748301e+00 -4.606198311e+00 3.42 -4.389953398e+00 -4.534275106e+00 -4.612339033e+00 3.44 -4.344509170e+00 -4.531164435e+00 -4.613920718e+00 3.46 -4.296359550e+00 -4.525573406e+00 -4.610900028e+00 3.48 -4.245589169e+00 -4.517571672e+00 -4.603372598e+00 3.50 -4.192373197e+00 -4.507157615e+00 -4.591647117e+00 3.52 -4.136990512e+00 -4.494372963e+00 -4.576269787e+00 3.54 -4.079812908e+00 -4.479345919e+00 -4.557992820e+00 3.56 -4.021266789e+00 -4.462312649e+00 -4.537683302e+00 3.58 -3.961760940e+00 -4.443582645e+00 -4.516158450e+00 3.60 -3.901595439e+00 -4.423387696e+00 -4.493975724e+00 3.62 -3.841005630e+00 -4.401877173e+00 -4.471484695e+00 3.64 -3.780255687e+00 -4.379173998e+00 -4.448969863e+00 3.66 -3.719629974e+00 -4.355408697e+00 -4.426641334e+00 3.68 -3.659303594e+00 -4.330726832e+00 -4.404614063e+00 3.70 -3.599321781e+00 -4.305279084e+00 -4.382889489e+00 3.72 -3.539669174e+00 -4.279200299e+00 -4.361343043e+00 3.74 -3.480316480e+00 -4.252600835e+00 -4.339746864e+00 3.76 -3.421247039e+00 -4.225560702e+00 -4.317809569e+00 3.78 -3.362472183e+00 -4.198108113e+00 -4.295198281e+00 3.80 -3.304038714e+00 -4.170217405e+00 -4.271560624e+00 3.82 -3.246030316e+00 -4.141818665e+00 -4.246552745e+00 3.84 -3.188564651e+00 -4.112797686e+00 -4.219871699e+00 3.86 -3.131787560e+00 -4.082999056e+00 -4.191288725e+00 3.88 -3.075865119e+00 -4.052233759e+00 -4.160681013e+00 3.90 -3.020973790e+00 -4.020290462e+00 -4.128059207e+00 3.92 -2.967288394e+00 -3.986949523e+00 -4.093587489e+00 3.94 -2.914967101e+00 -3.951999436e+00 -4.057590450e+00 3.96 -2.864132134e+00 -3.915248598e+00 -4.020484085e+00 3.98 -2.814844362e+00 -3.876529003e+00 -3.982645658e+00 4.00 -2.767069427e+00 -3.835690833e+00 -3.944368178e+00 4.02 -2.720641059e+00 -3.792588737e+00 -3.905808729e+00 4.04 -2.675294790e+00 -3.747117099e+00 -3.867036385e+00 4.06 -2.630737633e+00 -3.699272428e+00 -3.828136169e+00 4.08 -2.586676068e+00 -3.649173068e+00 -3.789222361e+00 4.10 -2.542840480e+00 -3.597064497e+00 -3.750434252e+00 4.12 -2.499009459e+00 -3.543310971e+00 -3.711925969e+00 4.14 -2.455031958e+00 -3.488369448e+00 -3.673851870e+00 4.16 -2.410844920e+00 -3.432741362e+00 -3.636348835e+00 4.18 -2.366483760e+00 -3.376895272e+00 -3.599518854e+00 4.20 -2.322082699e+00 -3.321137274e+00 -3.563426508e+00 4.22 -2.277861682e+00 -3.265613496e+00 -3.528098383e+00 4.24 -2.234096264e+00 -3.210420256e+00 -3.493516054e+00 4.26 -2.191066570e+00 -3.155632513e+00 -3.459611153e+00 4.28 -2.148981105e+00 -3.101318305e+00 -3.426263516e+00 4.30 -2.107897029e+00 -3.047547535e+00 -3.393302636e+00 4.32 -2.067782836e+00 -2.994396157e+00 -3.360512491e+00 4.34 -2.028596730e+00 -2.941946732e+00 -3.327639657e+00 4.36 -1.990291840e+00 -2.890286246e+00 -3.294404433e+00 4.38 -1.952816990e+00 -2.839502017e+00 -3.260514545e+00 4.40 -1.916117485e+00 -2.789676416e+00 -3.225680816e+00 4.42 -1.880135934e+00 -2.740881059e+00 -3.189634048e+00 4.44 -1.844813083e+00 -2.693171059e+00 -3.152142152e+00 4.46 -1.810088673e+00 -2.646579827e+00 -3.113026439e+00 4.48 -1.775902301e+00 -2.601114838e+00 -3.072175771e+00 4.50 -1.742194311e+00 -2.556754722e+00 -3.029557144e+00 4.52 -1.708906743e+00 -2.513448106e+00 -2.985221352e+00 4.54 -1.675984903e+00 -2.471115804e+00 -2.939304072e+00 4.56 -1.643378511e+00 -2.429653775e+00 -2.892016371e+00 4.58 -1.611041940e+00 -2.388935469e+00 -2.843620419e+00 4.60 -1.578934323e+00 -2.348815704e+00 -2.794391435e+00 4.62 -1.547019639e+00 -2.309136161e+00 -2.744563608e+00 4.64 -1.515266771e+00 -2.269732252e+00 -2.694268805e+00 4.66 -1.483649526e+00 -2.230441084e+00 -2.643569298e+00 4.68 -1.452146568e+00 -2.191110114e+00 -2.592524928e+00 4.70 -1.420741395e+00 -2.151606055e+00 -2.541198882e+00 4.72 -1.389422168e+00 -2.111823480e+00 -2.489657742e+00 4.74 -1.358181571e+00 -2.071692502e+00 -2.437971779e+00 4.76 -1.327016524e+00 -2.031184848e+00 -2.386215518e+00 4.78 -1.295927942e+00 -1.990317535e+00 -2.334468573e+00 4.80 -1.264920375e+00 -1.949153287e+00 -2.282816780e+00 4.82 -1.234001573e+00 -1.907796780e+00 -2.231353460e+00 4.84 -1.203182035e+00 -1.866385670e+00 -2.180172606e+00 4.86 -1.172474484e+00 -1.825075347e+00 -2.129351675e+00 4.88 -1.141893234e+00 -1.784017425e+00 -2.078952711e+00 4.90 -1.111453489e+00 -1.743331955e+00 -2.029028243e+00 4.92 -1.081170618e+00 -1.703074130e+00 -1.979625681e+00 4.94 -1.051059781e+00 -1.663255214e+00 -1.930790379e+00 4.96 -1.021134294e+00 -1.623883367e+00 -1.882567556e+00 4.98 -9.914048322e-01 -1.584967165e+00 -1.835003277e+00 5.00 -9.618800718e-01 -1.546515468e+00 -1.788144649e+00 5.02 -9.325618936e-01 -1.508537266e+00 -1.742039416e+00 5.04 -9.034531664e-01 -1.471041574e+00 -1.696735089e+00 5.06 -8.745523409e-01 -1.434037308e+00 -1.652277752e+00 5.08 -8.458723608e-01 -1.397533197e+00 -1.608710671e+00 5.10 -8.174103152e-01 -1.361537680e+00 -1.566072823e+00 5.12 -7.891895619e-01 -1.326058823e+00 -1.524397426e+00 5.14 -7.611856580e-01 -1.291104229e+00 -1.483710592e+00 5.16 -7.333176087e-01 -1.256680981e+00 -1.444030141e+00 5.18 -7.058620905e-01 -1.222795552e+00 -1.405364656e+00 5.20 -6.790287617e-01 -1.189453719e+00 -1.367712840e+00 5.22 -6.530214966e-01 -1.156660523e+00 -1.331063202e+00 5.24 -6.273405812e-01 -1.124420175e+00 -1.295394070e+00 5.26 -6.014789642e-01 -1.092735996e+00 -1.260673995e+00 5.28 -5.752238544e-01 -1.061610399e+00 -1.226862530e+00 5.30 -5.485625762e-01 -1.031044701e+00 -1.193911310e+00 5.32 -5.215688377e-01 -1.001039073e+00 -1.161765534e+00 5.34 -4.946554680e-01 -9.715926968e-01 -1.130365690e+00 5.36 -4.682607518e-01 -9.427033178e-01 -1.099649500e+00 5.38 -4.426305143e-01 -9.143673903e-01 -1.069554123e+00 5.40 -4.179152057e-01 -8.865803982e-01 -1.040018384e+00 5.42 -3.942070519e-01 -8.593354784e-01 -1.010985026e+00 5.44 -3.715460222e-01 -8.326253918e-01 -9.824029027e-01 5.46 -3.496863329e-01 -8.064402775e-01 -9.542291177e-01 5.48 -3.286600799e-01 -7.807698804e-01 -9.264304189e-01 5.50 -3.086958853e-01 -7.556004967e-01 -8.989844368e-01 5.52 -2.899478603e-01 -7.309194323e-01 -8.718809362e-01 5.54 -2.725147732e-01 -7.067096010e-01 -8.451204176e-01 5.56 -2.565867436e-01 -6.829534802e-01 -8.187141952e-01 5.58 -2.420789505e-01 -6.596348953e-01 -7.926812911e-01 5.60 -2.283363546e-01 -6.367289084e-01 -7.670450167e-01 5.62 -2.148845556e-01 -6.142138961e-01 -7.418294198e-01 5.64 -2.014112341e-01 -5.920776384e-01 -7.170532021e-01 5.66 -1.877303948e-01 -5.702741953e-01 -6.927230960e-01 5.68 -1.737530717e-01 -5.486979007e-01 -6.688380587e-01 5.70 -1.594635467e-01 -5.275013630e-01 -6.453660995e-01 5.72 -1.448568251e-01 -5.068035546e-01 -6.223078578e-01 5.74 -1.300708876e-01 -4.864153693e-01 -5.996399367e-01 5.76 -1.154850978e-01 -4.666693961e-01 -5.772353382e-01 5.78 -1.013944310e-01 -4.474873907e-01 -5.552115316e-01 5.80 -8.801740065e-02 -4.287670385e-01 -5.337496525e-01 5.82 -7.551330132e-02 -4.108291200e-01 -5.129574180e-01 5.84 -6.399510552e-02 -3.929815315e-01 -4.924614457e-01 5.86 -5.353594321e-02 -3.746716187e-01 -4.724703797e-01 5.88 -4.417528027e-02 -3.551858323e-01 -4.532594398e-01 5.90 -3.592553421e-02 -3.341115193e-01 -4.352816943e-01 5.92 -2.877743643e-02 -3.114931880e-01 -4.174366269e-01 5.94 -2.270430277e-02 -2.875864432e-01 -3.979981748e-01 5.96 -1.766541863e-02 -2.631490214e-01 -3.763132372e-01 5.98 -1.360872127e-02 -2.389099483e-01 -3.525053607e-01 6.00 -1.047293891e-02 -2.156137641e-01 -3.269174858e-01