# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Fischer-F-Schmitz-G-Eich-S-M--Cu-Ni # implementation = 2019--Fischer-F--Cu-Ni--LAMMPS--ipr2 # composition = CuNi3 # 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 2.497051097e+02 nan nan 1.04 2.262960027e+02 nan nan 1.06 2.055326650e+02 nan nan 1.08 1.871128160e+02 nan nan 1.10 1.707514217e+02 2.627819015e+02 nan 1.12 1.561949096e+02 nan nan 1.14 1.432225180e+02 2.194785443e+02 2.507567474e+02 1.16 1.316419824e+02 2.010982506e+02 2.295509890e+02 1.18 1.212871550e+02 1.846029266e+02 2.105074603e+02 1.20 1.120144969e+02 1.697954665e+02 1.934102868e+02 1.22 1.036983717e+02 1.564890071e+02 1.780546110e+02 1.24 9.622829858e+01 1.445126339e+02 1.642488304e+02 1.26 8.950873265e+01 1.337183715e+02 1.518210956e+02 1.28 8.345657928e+01 1.239770465e+02 1.406190863e+02 1.30 7.799804627e+01 1.151727807e+02 1.305067622e+02 1.32 7.306803953e+01 1.072018187e+02 1.213625846e+02 1.34 6.861021966e+01 9.997397542e+01 1.130802775e+02 1.36 6.406871824e+01 9.341268877e+01 1.055670646e+02 1.38 5.877708099e+01 8.745172761e+01 9.874036786e+01 1.40 5.325446033e+01 8.203183075e+01 9.252665927e+01 1.42 4.790449057e+01 7.709917364e+01 8.686235954e+01 1.44 4.298031673e+01 7.260496989e+01 8.169381084e+01 1.46 3.849009220e+01 6.850601387e+01 7.697430180e+01 1.48 3.439035096e+01 6.443335455e+01 7.266095922e+01 1.50 3.064350403e+01 5.969011435e+01 6.871386701e+01 1.52 2.721780361e+01 5.465617313e+01 6.484086498e+01 1.54 2.408673934e+01 4.967608552e+01 6.029904450e+01 1.56 2.122728255e+01 4.499546464e+01 5.542152542e+01 1.58 1.861822497e+01 4.069667601e+01 5.053965662e+01 1.60 1.623938641e+01 3.674624387e+01 4.590030537e+01 1.62 1.407175717e+01 3.311162011e+01 4.161683961e+01 1.64 1.209794305e+01 2.976491242e+01 3.766613256e+01 1.66 1.030266277e+01 2.668193118e+01 3.402037367e+01 1.68 8.672399401e+00 2.384172826e+01 3.065539120e+01 1.70 7.194633010e+00 2.122633088e+01 2.755030602e+01 1.72 5.857484380e+00 1.882021916e+01 2.468687597e+01 1.74 4.649519634e+00 1.660942718e+01 2.204862397e+01 1.76 3.559716432e+00 1.458072638e+01 1.961999817e+01 1.78 2.577722052e+00 1.272134524e+01 1.738605348e+01 1.80 1.694146616e+00 1.101904198e+01 1.533251282e+01 1.82 9.008559846e-01 9.462224812e+00 1.344595506e+01 1.84 1.909307493e-01 8.040015408e+00 1.171406448e+01 1.86 -4.419727163e-01 6.742207724e+00 1.012573280e+01 1.88 -1.003757286e+00 5.559104579e+00 8.670795156e+00 1.90 -1.499868731e+00 4.481430005e+00 7.339875421e+00 1.92 -1.935324303e+00 3.500421730e+00 6.124393136e+00 1.94 -2.314805909e+00 2.607998018e+00 5.016500410e+00 1.96 -2.642916880e+00 1.796973534e+00 4.008813137e+00 1.98 -2.924399027e+00 1.061241348e+00 3.094017695e+00 2.00 -3.164120794e+00 3.956867531e-01 2.264761263e+00 2.02 -3.366883440e+00 -2.041259441e-01 1.513852018e+00 2.04 -3.537206176e+00 -7.423625553e-01 8.346537517e-01 2.06 -3.679150173e+00 -1.223114108e+00 2.213040422e-01 2.08 -3.796280184e+00 -1.650537091e+00 -3.314607008e-01 2.10 -3.891702724e+00 -2.028834799e+00 -8.283569774e-01 2.12 -3.968015972e+00 -2.362167315e+00 -1.273701700e+00 2.14 -4.027410907e+00 -2.654548437e+00 -1.671592490e+00 2.16 -4.071856254e+00 -2.909753486e+00 -2.025922049e+00 2.18 -4.103124705e+00 -3.131342613e+00 -2.340374135e+00 2.20 -4.122783023e+00 -3.322655747e+00 -2.618420465e+00 2.22 -4.132175356e+00 -3.486806681e+00 -2.863356480e+00 2.24 -4.132398936e+00 -3.626725553e+00 -3.078311533e+00 2.26 -4.124305599e+00 -3.745152105e+00 -3.266218987e+00 2.28 -4.108611447e+00 -3.844568057e+00 -3.429763207e+00 2.30 -4.086011060e+00 -3.927160215e+00 -3.571355146e+00 2.32 -4.057230551e+00 -3.994823363e+00 -3.693170729e+00 2.34 -4.023003760e+00 -4.049174292e+00 -3.797206280e+00 2.36 -3.984047533e+00 -4.091647655e+00 -3.885271486e+00 2.38 -3.941047750e+00 -4.123529402e+00 -3.958963471e+00 2.40 -3.894628787e+00 -4.145967006e+00 -4.019725275e+00 2.42 -3.845336390e+00 -4.159981488e+00 -4.068899263e+00 2.44 -3.793655254e+00 -4.166478936e+00 -4.107699280e+00 2.46 -3.740045790e+00 -4.166248409e+00 -4.137189379e+00 2.48 -3.684947965e+00 -4.159972122e+00 -4.158275960e+00 2.50 -3.628776740e+00 -4.148230358e+00 -4.171729792e+00 2.52 -3.571915058e+00 -4.131495337e+00 -4.178215986e+00 2.54 -3.514705392e+00 -4.110135279e+00 -4.178315634e+00 2.56 -3.457441427e+00 -4.084424109e+00 -4.172537628e+00 2.58 -3.400361682e+00 -4.054578601e+00 -4.161326984e+00 2.60 -3.343645388e+00 -4.020808404e+00 -4.145075920e+00 2.62 -3.287399950e+00 -3.983330457e+00 -4.124118180e+00 2.64 -3.231638890e+00 -3.942365328e+00 -4.098737500e+00 2.66 -3.176271834e+00 -3.898133812e+00 -4.069213463e+00 2.68 -3.121146710e+00 -3.850857611e+00 -4.035831814e+00 2.70 -3.066114883e+00 -3.800774574e+00 -3.998885101e+00 2.72 -3.011045917e+00 -3.748168259e+00 -3.958671996e+00 2.74 -2.955835248e+00 -3.693376705e+00 -3.915496493e+00 2.76 -2.900411505e+00 -3.636784674e+00 -3.869666995e+00 2.78 -2.844742071e+00 -3.578814309e+00 -3.821495754e+00 2.80 -2.788816424e+00 -3.519905040e+00 -3.771301148e+00 2.82 -2.732614892e+00 -3.460481237e+00 -3.719405978e+00 2.84 -2.676102405e+00 -3.400917013e+00 -3.666130882e+00 2.86 -2.619231910e+00 -3.341506627e+00 -3.611784338e+00 2.88 -2.561954398e+00 -3.282440833e+00 -3.556648897e+00 2.90 -2.504233199e+00 -3.223793941e+00 -3.500964029e+00 2.92 -2.446057228e+00 -3.165567152e+00 -3.444907641e+00 2.94 -2.387446578e+00 -3.107740785e+00 -3.388580518e+00 2.96 -2.328450435e+00 -3.050282188e+00 -3.331999322e+00 2.98 -2.269140521e+00 -2.993148375e+00 -3.275103657e+00 3.00 -2.209603767e+00 -2.936288725e+00 -3.217802093e+00 3.02 -2.149936401e+00 -2.879647644e+00 -3.160032515e+00 3.04 -2.090239572e+00 -2.823167116e+00 -3.101772942e+00 3.06 -2.030615525e+00 -2.766789022e+00 -3.043047656e+00 3.08 -1.971164867e+00 -2.710457288e+00 -2.983923303e+00 3.10 -1.911990009e+00 -2.654120049e+00 -2.924496406e+00 3.12 -1.853195701e+00 -2.597732298e+00 -2.864878226e+00 3.14 -1.794885207e+00 -2.541259666e+00 -2.805181254e+00 3.16 -1.737156931e+00 -2.484683826e+00 -2.745509018e+00 3.18 -1.680101693e+00 -2.428009186e+00 -2.685949005e+00 3.20 -1.623800620e+00 -2.371261715e+00 -2.626568834e+00 3.22 -1.568324629e+00 -2.314478854e+00 -2.567424254e+00 3.24 -1.513734393e+00 -2.257708613e+00 -2.508568622e+00 3.26 -1.460079727e+00 -2.201009466e+00 -2.450053642e+00 3.28 -1.407402139e+00 -2.144448818e+00 -2.391929275e+00 3.30 -1.355739332e+00 -2.088100672e+00 -2.334243640e+00 3.32 -1.305125968e+00 -2.032043078e+00 -2.277042914e+00 3.34 -1.255593781e+00 -1.976355738e+00 -2.220371251e+00 3.36 -1.207171678e+00 -1.921117895e+00 -2.164270708e+00 3.38 -1.159885836e+00 -1.866406441e+00 -2.108781194e+00 3.40 -1.113759781e+00 -1.812294389e+00 -2.053940442e+00 3.42 -1.068814454e+00 -1.758850923e+00 -1.999783999e+00 3.44 -1.025068253e+00 -1.706140786e+00 -1.946345250e+00 3.46 -9.825370647e-01 -1.654223084e+00 -1.893655428e+00 3.48 -9.412342758e-01 -1.603150258e+00 -1.841743642e+00 3.50 -9.011707666e-01 -1.552967192e+00 -1.790636691e+00 3.52 -8.623548970e-01 -1.503710442e+00 -1.740358436e+00 3.54 -8.247924754e-01 -1.455407636e+00 -1.690929225e+00 3.56 -7.884867236e-01 -1.408078495e+00 -1.642365426e+00 3.58 -7.534382334e-01 -1.361737215e+00 -1.594679001e+00 3.60 -7.196449249e-01 -1.316393565e+00 -1.547877175e+00 3.62 -6.871019950e-01 -1.272054201e+00 -1.501962340e+00 3.64 -6.558018759e-01 -1.228723065e+00 -1.456932315e+00 3.66 -6.257342057e-01 -1.186401603e+00 -1.412781186e+00 3.68 -5.968857794e-01 -1.145088978e+00 -1.369501948e+00 3.70 -5.692405563e-01 -1.104782286e+00 -1.327086823e+00 3.72 -5.427796194e-01 -1.065476750e+00 -1.285526486e+00 3.74 -5.174812253e-01 -1.027165921e+00 -1.244810907e+00 3.76 -4.933207751e-01 -9.898418523e-01 -1.204929974e+00 3.78 -4.702709267e-01 -9.534952705e-01 -1.165873806e+00 3.80 -4.483015804e-01 -9.181157304e-01 -1.127632801e+00 3.82 -4.273800461e-01 -8.836917563e-01 -1.090197525e+00 3.84 -4.074711105e-01 -8.502109687e-01 -1.053558534e+00 3.86 -3.885371491e-01 -8.176602026e-01 -1.017706196e+00 3.88 -3.705383800e-01 -7.860256055e-01 -9.826305374e-01 3.90 -3.534330049e-01 -7.552927369e-01 -9.483211147e-01 3.92 -3.371773815e-01 -7.254466434e-01 -9.147670137e-01 3.94 -3.217263758e-01 -6.964719316e-01 -8.819572619e-01 3.96 -3.070336586e-01 -6.683528430e-01 -8.498811357e-01 3.98 -2.930519528e-01 -6.410732984e-01 -8.185282720e-01 4.00 -2.797333520e-01 -6.146169672e-01 -7.878887472e-01 4.02 -2.670298003e-01 -5.889673068e-01 -7.579531557e-01 4.04 -2.548936740e-01 -5.641076300e-01 -7.287126561e-01 4.06 -2.432781774e-01 -5.400211297e-01 -7.001590092e-01 4.08 -2.321374824e-01 -5.166909749e-01 -6.722846150e-01 4.10 -2.214272367e-01 -4.941003213e-01 -6.450825071e-01 4.12 -2.111059699e-01 -4.722324081e-01 -6.185463676e-01 4.14 -2.011356118e-01 -4.510706417e-01 -5.926705036e-01 4.16 -1.914824789e-01 -4.305986009e-01 -5.674498283e-01 4.18 -1.821173681e-01 -4.108002212e-01 -5.428798251e-01 4.20 -1.730108218e-01 -3.916598140e-01 -5.189565219e-01 4.22 -1.641408950e-01 -3.731621504e-01 -4.956763884e-01 4.24 -1.555007667e-01 -3.552925907e-01 -4.730363730e-01 4.26 -1.470909181e-01 -3.380370918e-01 -4.510337221e-01 4.28 -1.389006126e-01 -3.213822329e-01 -4.296659898e-01 4.30 -1.309277191e-01 -3.053153445e-01 -4.089309775e-01 4.32 -1.231725408e-01 -2.898241629e-01 -3.888265406e-01 4.34 -1.156169528e-01 -2.748966058e-01 -3.693506292e-01 4.36 -1.082430012e-01 -2.605215257e-01 -3.505012096e-01 4.38 -1.010472640e-01 -2.466888683e-01 -3.322760643e-01 4.40 -9.404353360e-02 -2.333835657e-01 -3.146726598e-01 4.42 -8.724888824e-02 -2.205927543e-01 -2.976882831e-01 4.44 -8.068535694e-02 -2.083112609e-01 -2.813200189e-01 4.46 -7.438482948e-02 -1.965252475e-01 -2.655643167e-01 4.48 -6.837691135e-02 -1.852264494e-01 -2.504163456e-01 4.50 -6.268286197e-02 -1.743896348e-01 -2.358715361e-01 4.52 -5.732726268e-02 -1.639933858e-01 -2.219246014e-01 4.54 -5.233522630e-02 -1.540327590e-01 -2.085715158e-01 4.56 -4.770580347e-02 -1.445094270e-01 -1.958028067e-01 4.58 -4.343811201e-02 -1.354271527e-01 -1.836051163e-01 4.60 -3.958771296e-02 -1.267831609e-01 -1.719699896e-01 4.62 -3.617764177e-02 -1.185697227e-01 -1.608975770e-01 4.64 -3.320281182e-02 -1.107814951e-01 -1.503747870e-01 4.66 -3.063774663e-02 -1.034112383e-01 -1.403881927e-01 4.68 -2.844409259e-02 -9.643351606e-02 -1.309288244e-01 4.70 -2.657724660e-02 -8.983242156e-02 -1.219763959e-01 4.72 -2.499162641e-02 -8.361077323e-02 -1.134984672e-01 4.74 -2.364438415e-02 -7.776652887e-02 -1.054698913e-01 4.76 -2.249762240e-02 -7.229197854e-02 -9.787597615e-02 4.78 -2.151935508e-02 -6.717457500e-02 -9.070715798e-02 4.80 -2.068354062e-02 -6.239908894e-02 -8.395181922e-02 4.82 -1.996951556e-02 -5.794890237e-02 -7.759807062e-02 4.84 -1.936110605e-02 -5.380950687e-02 -7.163448504e-02 4.86 -1.884562139e-02 -4.996391547e-02 -6.605340126e-02 4.88 -1.841286130e-02 -4.639315869e-02 -6.083775717e-02 4.90 -1.805420867e-02 -4.307995527e-02 -5.597042079e-02 4.92 -1.776183669e-02 -4.000887559e-02 -5.143621406e-02 4.94 -1.752804452e-02 -3.716647061e-02 -4.722192297e-02 4.96 -1.734505255e-02 -3.454135066e-02 -4.331635743e-02 4.98 -1.720538131e-02 -3.211312653e-02 -3.969688599e-02 5.00 -1.710197942e-02 -2.986582255e-02 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