# 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 = AlMg3 # 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 8.760011609e+01 nan nan 1.02 8.218933187e+01 nan nan 1.04 7.713231971e+01 nan nan 1.06 7.236293727e+01 nan nan 1.08 6.789495762e+01 nan nan 1.10 6.375150572e+01 8.561803012e+01 nan 1.12 5.986492833e+01 nan nan 1.14 5.621768301e+01 7.560232954e+01 8.351688027e+01 1.16 5.277247402e+01 7.114922123e+01 7.880796658e+01 1.18 4.954867179e+01 6.703487938e+01 7.437143134e+01 1.20 4.658532751e+01 6.319467823e+01 7.015097084e+01 1.22 4.389916934e+01 5.961857677e+01 6.615522027e+01 1.24 4.144207769e+01 5.628658079e+01 6.245969787e+01 1.26 3.918772561e+01 5.317578182e+01 5.903424892e+01 1.28 3.711985996e+01 5.028975319e+01 5.586197546e+01 1.30 3.521678145e+01 4.761624152e+01 5.290598312e+01 1.32 3.346621242e+01 4.514724792e+01 5.014497583e+01 1.34 3.185941268e+01 4.287425450e+01 4.758943248e+01 1.36 3.036556426e+01 4.077033586e+01 4.521949006e+01 1.38 2.896387326e+01 3.881457445e+01 4.301681299e+01 1.40 2.765329950e+01 3.697688101e+01 4.097409435e+01 1.42 2.640969387e+01 3.526028776e+01 3.906897028e+01 1.44 2.522190676e+01 3.367758987e+01 3.726203756e+01 1.46 2.409402648e+01 3.222630581e+01 3.555069626e+01 1.48 2.302807602e+01 3.088512019e+01 3.393387630e+01 1.50 2.200787025e+01 2.960577413e+01 3.240767507e+01 1.52 2.103242945e+01 2.836088447e+01 3.097472854e+01 1.54 2.009963771e+01 2.715057358e+01 2.963178337e+01 1.56 1.920158156e+01 2.598656478e+01 2.836419752e+01 1.58 1.832985545e+01 2.488707014e+01 2.715969133e+01 1.60 1.747611363e+01 2.386308821e+01 2.599938897e+01 1.62 1.665082254e+01 2.290679991e+01 2.488744068e+01 1.64 1.585510663e+01 2.199538550e+01 2.383860232e+01 1.66 1.508356440e+01 2.110782578e+01 2.285843251e+01 1.68 1.432835399e+01 2.023291217e+01 2.194619944e+01 1.70 1.357143768e+01 1.936993801e+01 2.109666662e+01 1.72 1.280589640e+01 1.852273789e+01 2.027874288e+01 1.74 1.204539102e+01 1.769704547e+01 1.947954016e+01 1.76 1.129607616e+01 1.690221624e+01 1.869735342e+01 1.78 1.056311648e+01 1.614124596e+01 1.793569029e+01 1.80 9.851985192e+00 1.540688597e+01 1.719848286e+01 1.82 9.167816724e+00 1.468667493e+01 1.648922008e+01 1.84 8.507781962e+00 1.398727197e+01 1.580875915e+01 1.86 7.863501223e+00 1.331033423e+01 1.515277470e+01 1.88 7.231852497e+00 1.264936878e+01 1.450920250e+01 1.90 6.621328002e+00 1.199812826e+01 1.386984840e+01 1.92 6.037577585e+00 1.135211298e+01 1.322900378e+01 1.94 5.479415759e+00 1.071218750e+01 1.258638564e+01 1.96 4.948145869e+00 1.008065257e+01 1.194350631e+01 1.98 4.445742166e+00 9.458235577e+00 1.130266812e+01 2.00 3.976323109e+00 8.845350422e+00 1.066828063e+01 2.02 3.539708268e+00 8.243335900e+00 1.004591022e+01 2.04 3.132825313e+00 7.654515204e+00 9.440180471e+00 2.06 2.752458172e+00 7.073758407e+00 8.846044689e+00 2.08 2.394485390e+00 6.501018445e+00 8.259970380e+00 2.10 2.054282507e+00 5.939147142e+00 7.679066789e+00 2.12 1.730031738e+00 5.400585257e+00 7.114410741e+00 2.14 1.420036133e+00 4.892215236e+00 6.571417295e+00 2.16 1.124718586e+00 4.413825719e+00 6.045715578e+00 2.18 8.448825830e-01 3.963650917e+00 5.534892752e+00 2.20 5.824744885e-01 3.538420937e+00 5.040247243e+00 2.22 3.382184282e-01 3.135463461e+00 4.563969435e+00 2.24 1.128379363e-01 2.753155563e+00 4.108691131e+00 2.26 -9.234983790e-02 2.390284216e+00 3.676038551e+00 2.28 -2.782313655e-01 2.045852687e+00 3.268028014e+00 2.30 -4.508884369e-01 1.719916584e+00 2.886802070e+00 2.32 -6.110002378e-01 1.413142649e+00 2.531106028e+00 2.34 -7.586922920e-01 1.126461992e+00 2.193193120e+00 2.36 -8.937200981e-01 8.612160599e-01 1.872804825e+00 2.38 -1.015645489e+00 6.169539753e-01 1.570322844e+00 2.40 -1.125005612e+00 3.912594905e-01 1.286190997e+00 2.42 -1.223347841e+00 1.844018901e-01 1.020800848e+00 2.44 -1.312243630e+00 -4.668253096e-03 7.743676662e-01 2.46 -1.392219537e+00 -1.797627227e-01 5.459895606e-01 2.48 -1.464491347e+00 -3.416647401e-01 3.341784903e-01 2.50 -1.531621572e+00 -4.910679071e-01 1.375463731e-01 2.52 -1.594913417e+00 -6.288028672e-01 -4.490259481e-02 2.54 -1.654322861e+00 -7.557658919e-01 -2.144427237e-01 2.56 -1.709675065e+00 -8.727969507e-01 -3.735165951e-01 2.58 -1.760583798e+00 -9.805828383e-01 -5.232041236e-01 2.60 -1.806496872e+00 -1.079928179e+00 -6.637422088e-01 2.62 -1.846791507e+00 -1.171936956e+00 -7.954298597e-01 2.64 -1.880656965e+00 -1.257126472e+00 -9.185551075e-01 2.66 -1.905659063e+00 -1.335808966e+00 -1.033418844e+00 2.68 -1.921931034e+00 -1.408843120e+00 -1.140127277e+00 2.70 -1.932419824e+00 -1.476717750e+00 -1.238273427e+00 2.72 -1.937630478e+00 -1.538974956e+00 -1.327169982e+00 2.74 -1.938208643e+00 -1.595590741e+00 -1.406843951e+00 2.76 -1.934887631e+00 -1.646750558e+00 -1.480099026e+00 2.78 -1.928403429e+00 -1.692648955e+00 -1.547420844e+00 2.80 -1.919240491e+00 -1.733517945e+00 -1.608862888e+00 2.82 -1.907984026e+00 -1.769371551e+00 -1.664562078e+00 2.84 -1.895647677e+00 -1.800057749e+00 -1.714642906e+00 2.86 -1.882652009e+00 -1.825880125e+00 -1.759360589e+00 2.88 -1.867944707e+00 -1.845845202e+00 -1.799180598e+00 2.90 -1.852003294e+00 -1.860297354e+00 -1.834574206e+00 2.92 -1.836139967e+00 -1.870746747e+00 -1.866068833e+00 2.94 -1.819728586e+00 -1.878161656e+00 -1.894129441e+00 2.96 -1.802251113e+00 -1.883299705e+00 -1.917255511e+00 2.98 -1.784261888e+00 -1.887061389e+00 -1.935708283e+00 3.00 -1.766055209e+00 -1.890130082e+00 -1.950998671e+00 3.02 -1.746585738e+00 -1.892480051e+00 -1.962594918e+00 3.04 -1.725874437e+00 -1.893876350e+00 -1.970582801e+00 3.06 -1.704274727e+00 -1.894049336e+00 -1.975157750e+00 3.08 -1.682164507e+00 -1.893446167e+00 -1.976506619e+00 3.10 -1.659970198e+00 -1.891828104e+00 -1.974578412e+00 3.12 -1.638111367e+00 -1.888723362e+00 -1.969003070e+00 3.14 -1.617023474e+00 -1.883600615e+00 -1.959466618e+00 3.16 -1.597121831e+00 -1.875916363e+00 -1.946062069e+00 3.18 -1.578785345e+00 -1.865115293e+00 -1.929422048e+00 3.20 -1.562049478e+00 -1.851465911e+00 -1.910419964e+00 3.22 -1.546673394e+00 -1.836985742e+00 -1.889921497e+00 3.24 -1.531843426e+00 -1.821741244e+00 -1.868784451e+00 3.26 -1.517158946e+00 -1.805624578e+00 -1.847774360e+00 3.28 -1.502261867e+00 -1.788577263e+00 -1.827581294e+00 3.30 -1.486863796e+00 -1.770714312e+00 -1.808970158e+00 3.32 -1.471116932e+00 -1.752648511e+00 -1.792785509e+00 3.34 -1.455393000e+00 -1.735172237e+00 -1.779536818e+00 3.36 -1.439156813e+00 -1.718063671e+00 -1.768518740e+00 3.38 -1.421279388e+00 -1.700549989e+00 -1.758454199e+00 3.40 -1.401807744e+00 -1.682516843e+00 -1.748919975e+00 3.42 -1.381376059e+00 -1.663334867e+00 -1.739479397e+00 3.44 -1.359851938e+00 -1.642068940e+00 -1.729686453e+00 3.46 -1.337100043e+00 -1.619843282e+00 -1.719083340e+00 3.48 -1.313003076e+00 -1.599226850e+00 -1.707191706e+00 3.50 -1.287471299e+00 -1.582342597e+00 -1.693523299e+00 3.52 -1.260583271e+00 -1.565776961e+00 -1.677582961e+00 3.54 -1.233882878e+00 -1.549111689e+00 -1.660060892e+00 3.56 -1.209858235e+00 -1.532439510e+00 -1.642339893e+00 3.58 -1.190231568e+00 -1.515810867e+00 -1.624413430e+00 3.60 -1.171692280e+00 -1.499246310e+00 -1.606244184e+00 3.62 -1.153462130e+00 -1.482742617e+00 -1.587771262e+00 3.64 -1.135513850e+00 -1.466281155e+00 -1.568897442e+00 3.66 -1.117871885e+00 -1.449833744e+00 -1.549504859e+00 3.68 -1.101015500e+00 -1.433362115e+00 -1.529450133e+00 3.70 -1.085540143e+00 -1.416816186e+00 -1.508551803e+00 3.72 -1.071513286e+00 -1.400135341e+00 -1.486571180e+00 3.74 -1.057875789e+00 -1.383261240e+00 -1.463203385e+00 3.76 -1.044479138e+00 -1.366145534e+00 -1.438061448e+00 3.78 -1.031246642e+00 -1.348768513e+00 -1.410679948e+00 3.80 -1.018103864e+00 -1.331115358e+00 -1.380592803e+00 3.82 -1.004978587e+00 -1.313168529e+00 -1.348960896e+00 3.84 -9.918006127e-01 -1.294933473e+00 -1.318913217e+00 3.86 -9.785023427e-01 -1.276426004e+00 -1.293966794e+00 3.88 -9.650209618e-01 -1.257653880e+00 -1.271858786e+00 3.90 -9.513532429e-01 -1.238619225e+00 -1.250388423e+00 3.92 -9.375467161e-01 -1.219329178e+00 -1.229788313e+00 3.94 -9.236517634e-01 -1.199798755e+00 -1.210224811e+00 3.96 -9.097206274e-01 -1.180058013e+00 -1.191545267e+00 3.98 -8.958072318e-01 -1.160153273e+00 -1.173823406e+00 4.00 -8.819600944e-01 -1.140139325e+00 -1.157160339e+00 4.02 -8.682195314e-01 -1.120056853e+00 -1.141629375e+00 4.04 -8.546275448e-01 -1.100217099e+00 -1.127252816e+00 4.06 -8.412347463e-01 -1.081582043e+00 -1.114000594e+00 4.08 -8.280981162e-01 -1.065064021e+00 -1.101787325e+00 4.10 -8.152798306e-01 -1.051146149e+00 -1.090484704e+00 4.12 -8.028444862e-01 -1.037983698e+00 -1.079963008e+00 4.14 -7.908271505e-01 -1.025110400e+00 -1.070097384e+00 4.16 -7.792109878e-01 -1.012455846e+00 -1.060763492e+00 4.18 -7.679727136e-01 -9.999495076e-01 -1.051841423e+00 4.20 -7.570768869e-01 -9.875215250e-01 -1.043217970e+00 4.22 -7.464720693e-01 -9.751073012e-01 -1.034790987e+00 4.24 -7.361048348e-01 -9.626487274e-01 -1.026467148e+00 4.26 -7.259202339e-01 -9.501099523e-01 -1.018156665e+00 4.28 -7.158571300e-01 -9.374644459e-01 -1.009772762e+00 4.30 -7.058495965e-01 -9.246927685e-01 -1.001231286e+00 4.32 -6.958322961e-01 -9.117851280e-01 -9.924513960e-01 4.34 -6.857411991e-01 -8.987378813e-01 -9.833617973e-01 4.36 -6.755149661e-01 -8.855814392e-01 -9.739432428e-01 4.38 -6.651072663e-01 -8.723641375e-01 -9.642039915e-01 4.40 -6.545224372e-01 -8.591362156e-01 -9.541534497e-01 4.42 -6.437824112e-01 -8.459493573e-01 -9.438034176e-01 4.44 -6.329204858e-01 -8.328559574e-01 -9.331705040e-01 4.46 -6.219831826e-01 -8.199093153e-01 -9.222731374e-01 4.48 -6.110225248e-01 -8.071550163e-01 -9.111307342e-01 4.50 -6.000954453e-01 -7.946072882e-01 -8.997637938e-01 4.52 -5.892569847e-01 -7.822722368e-01 -8.881940196e-01 4.54 -5.785280070e-01 -7.701504892e-01 -8.764449722e-01 4.56 -5.679178138e-01 -7.582390743e-01 -8.645477467e-01 4.58 -5.574357832e-01 -7.465387307e-01 -8.525422148e-01 4.60 -5.470892291e-01 -7.350515319e-01 -8.404726446e-01 4.62 -5.368790949e-01 -7.237752414e-01 -8.283742542e-01 4.64 -5.267546749e-01 -7.126863669e-01 -8.162455801e-01 4.66 -5.166339027e-01 -7.017538121e-01 -8.041255713e-01 4.68 -5.064371469e-01 -6.909448741e-01 -7.922081244e-01 4.70 -4.960872005e-01 -6.802253958e-01 -7.807049954e-01 4.72 -4.854963829e-01 -6.695748947e-01 -7.698260387e-01 4.74 -4.745602282e-01 -6.590134167e-01 -7.594307700e-01 4.76 -4.631767753e-01 -6.485696471e-01 -7.490866157e-01 4.78 -4.512744342e-01 -6.382727684e-01 -7.387548607e-01 4.80 -4.388038779e-01 -6.281527914e-01 -7.284216561e-01 4.82 -4.257264616e-01 -6.182262420e-01 -7.180731866e-01 4.84 -4.120158817e-01 -6.084639953e-01 -7.076951594e-01 4.86 -3.976642271e-01 -5.988530559e-01 -6.972734535e-01 4.88 -3.827282675e-01 -5.893914812e-01 -6.867937120e-01 4.90 -3.673365296e-01 -5.800859196e-01 -6.762522949e-01 4.92 -3.516321669e-01 -5.709631535e-01 -6.656728155e-01 4.94 -3.357687518e-01 -5.620548697e-01 -6.550832145e-01 4.96 -3.199124339e-01 -5.533800485e-01 -6.445172027e-01 4.98 -3.042029456e-01 -5.449224433e-01 -6.340165960e-01 5.00 -2.885498109e-01 -5.366592854e-01 -6.236233581e-01 5.02 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