# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Cu3Ni # 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 2.030410923e+02 nan nan 0.82 1.967256696e+02 nan nan 0.84 1.903045183e+02 nan nan 0.86 1.836866762e+02 nan nan 0.88 1.768143758e+02 nan nan 0.90 1.696852689e+02 1.967293280e+02 nan 0.92 1.623394989e+02 1.909307570e+02 1.978059069e+02 0.94 1.548089920e+02 1.849016725e+02 1.923854859e+02 0.96 1.471533499e+02 1.785988683e+02 1.867422350e+02 0.98 1.394386512e+02 1.720537794e+02 1.808428502e+02 1.00 1.317160272e+02 1.652847003e+02 1.746928090e+02 1.02 1.240508108e+02 1.583322931e+02 1.683091603e+02 1.04 1.164900063e+02 1.512509220e+02 1.617283951e+02 1.06 1.090910940e+02 1.440785704e+02 1.549855856e+02 1.08 1.018880382e+02 1.368811643e+02 1.481300680e+02 1.10 9.491202096e+01 1.297043030e+02 1.411998701e+02 1.12 8.819482144e+01 1.225912230e+02 1.342482356e+02 1.14 8.175656334e+01 1.155731047e+02 1.273197418e+02 1.16 7.561876277e+01 1.086963321e+02 1.204483096e+02 1.18 6.979144975e+01 1.019955978e+02 1.136811308e+02 1.20 6.427656026e+01 9.549921087e+01 1.070552375e+02 1.22 5.907372014e+01 8.921814523e+01 1.005891660e+02 1.24 5.418701239e+01 8.318468749e+01 9.431965055e+01 1.26 4.960939663e+01 7.740907551e+01 8.826175172e+01 1.28 4.532865582e+01 7.189992174e+01 8.243438862e+01 1.30 4.134285645e+01 6.666094946e+01 7.684048118e+01 1.32 3.764187965e+01 6.168971060e+01 7.149883049e+01 1.34 3.421199165e+01 5.699043101e+01 6.641236156e+01 1.36 3.103794924e+01 5.256188519e+01 6.158278367e+01 1.38 2.810548743e+01 4.839645964e+01 5.700590077e+01 1.40 2.540610952e+01 4.449039245e+01 5.267530555e+01 1.42 2.292733545e+01 4.083475643e+01 4.859803405e+01 1.44 2.065409457e+01 3.741868294e+01 4.476578871e+01 1.46 1.857245815e+01 3.422908877e+01 4.117161867e+01 1.48 1.666827963e+01 3.126012890e+01 3.780980832e+01 1.50 1.493132447e+01 2.850580174e+01 3.466996121e+01 1.52 1.335189868e+01 2.595486561e+01 3.174181585e+01 1.54 1.189886494e+01 2.359520162e+01 2.901778285e+01 1.56 1.059197553e+01 2.141765176e+01 2.648913813e+01 1.58 9.352628251e+00 1.941142527e+01 2.414278281e+01 1.60 8.251146097e+00 1.756601518e+01 2.197107247e+01 1.62 7.222292983e+00 1.587005310e+01 1.996384976e+01 1.64 6.263373903e+00 1.431510487e+01 1.811288188e+01 1.66 5.370992491e+00 1.288887220e+01 1.640540844e+01 1.68 4.541683174e+00 1.156341521e+01 1.483291794e+01 1.70 3.772419608e+00 1.036475587e+01 1.338987872e+01 1.72 3.059342624e+00 9.245867523e+00 1.206750421e+01 1.74 2.399562621e+00 8.193017177e+00 1.083628520e+01 1.76 1.789148905e+00 7.234717882e+00 9.719403550e+00 1.78 1.225299367e+00 6.337152745e+00 8.642408928e+00 1.80 7.051391687e-01 5.498781901e+00 7.676994296e+00 1.82 2.256750504e-01 4.716287599e+00 6.772307878e+00 1.84 -2.146196142e-01 3.986541420e+00 5.924527127e+00 1.86 -6.188602716e-01 3.306569260e+00 5.131689426e+00 1.88 -9.880389486e-01 2.672975037e+00 4.387721807e+00 1.90 -1.324385382e+00 2.083878093e+00 3.689944882e+00 1.92 -1.630002523e+00 1.535920767e+00 3.039520533e+00 1.94 -1.906874574e+00 1.025062567e+00 2.433763073e+00 1.96 -2.156874171e+00 5.521086299e-01 1.870141324e+00 1.98 -2.381768893e+00 1.130695358e-01 1.346024265e+00 2.00 -2.583205235e+00 -2.927936432e-01 8.594623078e-01 2.02 -2.760448345e+00 -6.661952364e-01 4.083397630e-01 2.04 -2.917536488e+00 -1.009535895e+00 -1.017286545e-02 2.06 -3.055899611e+00 -1.324600317e+00 -3.969131516e-01 2.08 -3.176822652e+00 -1.613086079e+00 -7.534219342e-01 2.10 -3.281547020e+00 -1.876731767e+00 -1.081894212e+00 2.12 -3.371752321e+00 -2.116869799e+00 -1.383941628e+00 2.14 -3.448293236e+00 -2.334932878e+00 -1.661092934e+00 2.16 -3.511775892e+00 -2.532733622e+00 -1.915126202e+00 2.18 -3.564019657e+00 -2.710505043e+00 -2.147203613e+00 2.20 -3.605019715e+00 -2.869051867e+00 -2.358459687e+00 2.22 -3.635868821e+00 -3.010097838e+00 -2.550860220e+00 2.24 -3.656481762e+00 -3.135347137e+00 -2.726260489e+00 2.26 -3.668344735e+00 -3.245807802e+00 -2.882164710e+00 2.28 -3.672177627e+00 -3.342436759e+00 -3.021678808e+00 2.30 -3.668652177e+00 -3.425903518e+00 -3.146006367e+00 2.32 -3.658397789e+00 -3.497323333e+00 -3.256097775e+00 2.34 -3.642003773e+00 -3.557509105e+00 -3.352853947e+00 2.36 -3.620021487e+00 -3.607228442e+00 -3.436966352e+00 2.38 -3.592966400e+00 -3.647207735e+00 -3.509356276e+00 2.40 -3.561320047e+00 -3.678139858e+00 -3.570863120e+00 2.42 -3.525680376e+00 -3.700493720e+00 -3.622481100e+00 2.44 -3.486305937e+00 -3.714520908e+00 -3.664599000e+00 2.46 -3.443588783e+00 -3.721187030e+00 -3.697869667e+00 2.48 -3.398050152e+00 -3.721436911e+00 -3.723160292e+00 2.50 -3.350004778e+00 -3.716108874e+00 -3.740881916e+00 2.52 -3.299404231e+00 -3.705429528e+00 -3.751079584e+00 2.54 -3.246749617e+00 -3.689681452e+00 -3.754716932e+00 2.56 -3.190177806e+00 -3.669131872e+00 -3.752284208e+00 2.58 -3.131739617e+00 -3.644185650e+00 -3.744243970e+00 2.60 -3.072166504e+00 -3.616875350e+00 -3.731032493e+00 2.62 -3.011670422e+00 -3.586340733e+00 -3.713061032e+00 2.64 -2.950441495e+00 -3.552358369e+00 -3.690717035e+00 2.66 -2.889930572e+00 -3.515256297e+00 -3.664365307e+00 2.68 -2.829767743e+00 -3.475341553e+00 -3.634349133e+00 2.70 -2.769274916e+00 -3.432903072e+00 -3.600991337e+00 2.72 -2.708558647e+00 -3.387943818e+00 -3.564595322e+00 2.74 -2.647749164e+00 -3.340773278e+00 -3.525446046e+00 2.76 -2.587324591e+00 -3.291823084e+00 -3.483810987e+00 2.78 -2.527266439e+00 -3.240289689e+00 -3.440177687e+00 2.80 -2.467545277e+00 -3.186064335e+00 -3.394398345e+00 2.82 -2.408114004e+00 -3.130874748e+00 -3.346752374e+00 2.84 -2.349056812e+00 -3.074839697e+00 -3.297539934e+00 2.86 -2.290450615e+00 -3.018111822e+00 -3.245946084e+00 2.88 -2.232364851e+00 -2.960832848e+00 -3.194114603e+00 2.90 -2.174861997e+00 -2.903134216e+00 -3.141280455e+00 2.92 -2.117998050e+00 -2.845137678e+00 -3.087573739e+00 2.94 -2.061822979e+00 -2.786961665e+00 -3.033140239e+00 2.96 -2.006381154e+00 -2.729020468e+00 -2.978115648e+00 2.98 -1.951711836e+00 -2.671072657e+00 -2.922626128e+00 3.00 -1.897849534e+00 -2.613212167e+00 -2.866788873e+00 3.02 -1.844821784e+00 -2.555522287e+00 -2.810712581e+00 3.04 -1.792658308e+00 -2.498683157e+00 -2.754497967e+00 3.06 -1.741408476e+00 -2.442895397e+00 -2.698238239e+00 3.08 -1.690981005e+00 -2.387428451e+00 -2.642019487e+00 3.10 -1.641297898e+00 -2.332343594e+00 -2.585921127e+00 3.12 -1.592186088e+00 -2.277696648e+00 -2.530016309e+00 3.14 -1.543647030e+00 -2.223538342e+00 -2.474372274e+00 3.16 -1.495933371e+00 -2.169914636e+00 -2.419050712e+00 3.18 -1.449194807e+00 -2.116867013e+00 -2.364108094e+00 3.20 -1.403460605e+00 -2.064432739e+00 -2.309595994e+00 3.22 -1.358715344e+00 -2.012645160e+00 -2.255561384e+00 3.24 -1.314952496e+00 -1.961534094e+00 -2.202046916e+00 3.26 -1.272169814e+00 -1.911125973e+00 -2.149091189e+00 3.28 -1.230358523e+00 -1.861442284e+00 -2.096729029e+00 3.30 -1.189513913e+00 -1.812503191e+00 -2.044991807e+00 3.32 -1.149624005e+00 -1.764354659e+00 -1.993907451e+00 3.34 -1.110678945e+00 -1.716944288e+00 -1.943500668e+00 3.36 -1.072670504e+00 -1.670201953e+00 -1.893793515e+00 3.38 -1.035585909e+00 -1.624008869e+00 -1.844801062e+00 3.40 -9.994087391e-01 -1.578299737e+00 -1.796611848e+00 3.42 -9.641284659e-01 -1.533208295e+00 -1.749334672e+00 3.44 -9.297381039e-01 -1.488872564e+00 -1.702735039e+00 3.46 -8.962155437e-01 -1.445370449e+00 -1.656754677e+00 3.48 -8.635419521e-01 -1.402735642e+00 -1.611249564e+00 3.50 -8.317023841e-01 -1.360957067e+00 -1.566203459e+00 3.52 -8.006929761e-01 -1.320028010e+00 -1.522670310e+00 3.54 -7.705180900e-01 -1.279944766e+00 -1.479881773e+00 3.56 -7.410653440e-01 -1.240702012e+00 -1.437877507e+00 3.58 -7.123258606e-01 -1.202296354e+00 -1.396675884e+00 3.60 -6.842798685e-01 -1.164717097e+00 -1.356272373e+00 3.62 -6.570005305e-01 -1.127957132e+00 -1.316661765e+00 3.64 -6.305775758e-01 -1.092011956e+00 -1.277842202e+00 3.66 -6.050748076e-01 -1.056868360e+00 -1.239808690e+00 3.68 -5.805680963e-01 -1.022515496e+00 -1.202560343e+00 3.70 -5.571630436e-01 -9.889470676e-01 -1.166088747e+00 3.72 -5.347058097e-01 -9.561543162e-01 -1.130385986e+00 3.74 -5.130375807e-01 -9.241208085e-01 -1.095449837e+00 3.76 -4.918656329e-01 -8.928325971e-01 -1.061273572e+00 3.78 -4.709734742e-01 -8.622839235e-01 -1.027841604e+00 3.80 -4.502139398e-01 -8.324638772e-01 -9.951496014e-01 3.82 -4.294941605e-01 -8.033641584e-01 -9.631917682e-01 3.84 -4.087632329e-01 -7.749431098e-01 -9.319624532e-01 3.86 -3.880021568e-01 -7.471596870e-01 -9.014383378e-01 3.88 -3.672136952e-01 -7.200405174e-01 -8.716111254e-01 3.90 -3.463422596e-01 -6.935750973e-01 -8.424791846e-01 3.92 -3.254657849e-01 -6.677418956e-01 -8.140304550e-01 3.94 -3.046898309e-01 -6.426162134e-01 -7.862689728e-01 3.96 -2.842030381e-01 -6.182605585e-01 -7.591347092e-01 3.98 -2.641653291e-01 -5.947844997e-01 -7.325693199e-01 4.00 -2.446966623e-01 -5.721743228e-01 -7.066319888e-01 4.02 -2.258843460e-01 -5.503294045e-01 -6.812980380e-01 4.04 -2.077067817e-01 -5.292072454e-01 -6.566045546e-01 4.06 -1.931662024e-01 -5.087372970e-01 -6.326172646e-01 4.08 -1.794190837e-01 -4.887000879e-01 -6.093845452e-01 4.10 -1.663003353e-01 -4.689190387e-01 -5.869812935e-01 4.12 -1.538067674e-01 -4.492703886e-01 -5.654835062e-01 4.14 -1.419293729e-01 -4.296725573e-01 -5.447338265e-01 4.16 -1.306546737e-01 -4.101188052e-01 -5.246415556e-01 4.18 -1.199658274e-01 -3.908656119e-01 -5.051072864e-01 4.20 -1.098435351e-01 -3.715287620e-01 -4.859352897e-01 4.22 -1.002667804e-01 -3.521832239e-01 -4.669811883e-01 4.24 -9.121342877e-02 -3.329126279e-01 -4.481443881e-01 4.26 -8.266070980e-02 -3.137613156e-01 -4.293593232e-01 4.28 -7.459045903e-02 -2.947305899e-01 -4.105881374e-01 4.30 -6.728956906e-02 -2.775942528e-01 -3.918145906e-01 4.32 -6.108010961e-02 -2.616095386e-01 -3.730337222e-01 4.34 -5.520022685e-02 -2.460632674e-01 -3.541899099e-01 4.36 -4.964804693e-02 -2.310017004e-01 -3.353601096e-01 4.38 -4.440641138e-02 -2.164578861e-01 -3.166435122e-01 4.40 -3.945878067e-02 -2.024539298e-01 -2.980897049e-01 4.42 -3.476850103e-02 -1.890029236e-01 -2.798184608e-01 4.44 -3.169954606e-02 -1.761105858e-01 -2.619399508e-01 4.46 -2.952466524e-02 -1.637766491e-01 -2.445386002e-01 4.48 -2.745750774e-02 -1.519960336e-01 -2.276774121e-01 4.50 -2.549296405e-02 -1.407598358e-01 -2.114016414e-01 4.52 -2.362614112e-02 -1.300561593e-01 -1.957419143e-01 4.54 -2.185235702e-02 -1.198708104e-01 -1.807168678e-01 4.56 -2.016713506e-02 -1.101878784e-01 -1.663353816e-01 4.58 -1.856619749e-02 -1.009902181e-01 -1.525984590e-01 4.60 -1.704545899e-02 -9.225984862e-02 -1.395008089e-01 4.62 -1.560102002e-02 -8.397828044e-02 -1.270321713e-01 4.64 -1.422915996e-02 -7.612678363e-02 -1.151784263e-01 4.66 -1.292633038e-02 -6.868660435e-02 -1.039225164e-01 4.68 -1.168914825e-02 -6.163913883e-02 -9.324521206e-02 4.70 -1.051438921e-02 -5.496607126e-02 -8.312574341e-02 4.72 -9.398981061e-03 -4.864948153e-02 -7.354231904e-02 4.74 -8.339997231e-03 -4.267192767e-02 -6.447254914e-02 4.76 -7.334650553e-03 -3.701650734e-02 -5.589378832e-02 4.78 -6.380287130e-03 -3.166690193e-02 -4.778341066e-02 4.80 -5.474380414e-03 -2.660740629e-02 -4.011902819e-02 4.82 -4.614525478e-03 -2.239256215e-02 -3.374244284e-02 4.84 -3.798433491e-03 -1.840334745e-02 -2.771287072e-02 4.86 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