# 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--ipr3 # 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 2.499756614e+02 nan nan 1.04 2.265650085e+02 nan nan 1.06 2.058003561e+02 nan nan 1.08 1.873794010e+02 nan nan 1.10 1.710170871e+02 2.630537019e+02 nan 1.12 1.564598199e+02 nan nan 1.14 1.434868155e+02 2.197472985e+02 2.510281129e+02 1.16 1.319057874e+02 2.013657610e+02 2.298208152e+02 1.18 1.215505656e+02 1.848693602e+02 2.107759172e+02 1.20 1.122775893e+02 1.700609760e+02 1.936775344e+02 1.22 1.039611998e+02 1.567537310e+02 1.783207992e+02 1.24 9.649089552e+01 1.447766965e+02 1.645140991e+02 1.26 8.977112308e+01 1.339818826e+02 1.520855749e+02 1.28 8.371878761e+01 1.242401021e+02 1.408828964e+02 1.30 7.826009673e+01 1.154354621e+02 1.307700133e+02 1.32 7.332995619e+01 1.074641943e+02 1.216253770e+02 1.34 6.887202639e+01 1.002361054e+02 1.133427016e+02 1.36 6.417518173e+01 9.367462683e+01 1.058292008e+02 1.38 5.880275696e+01 8.771352081e+01 9.900228681e+01 1.40 5.325647550e+01 8.229351953e+01 9.278842161e+01 1.42 4.790450477e+01 7.736079181e+01 8.712401598e+01 1.44 4.298032318e+01 7.286654465e+01 8.195540218e+01 1.46 3.849009430e+01 6.876756606e+01 7.723585891e+01 1.48 3.439035128e+01 6.456307721e+01 7.292250306e+01 1.50 3.064350403e+01 5.972949926e+01 6.897540860e+01 1.52 2.721780361e+01 5.466236392e+01 6.498097295e+01 1.54 2.408673934e+01 4.967615332e+01 6.034426304e+01 1.56 2.122728255e+01 4.499546464e+01 5.542967777e+01 1.58 1.861822497e+01 4.069667601e+01 5.053981305e+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 8.672399402e+00 2.384172826e+01 3.065539120e+01 1.70 7.194633011e+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 2.607998019e+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 -2.041259440e-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 -3.797206279e+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 -9.825370648e-01 -1.654223084e+00 -1.893655428e+00 3.48 -9.412342758e-01 -1.603150258e+00 -1.841743642e+00 3.50 -9.011707667e-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 -5.174812254e-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 -1.127632802e+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 -3.885371492e-01 -8.176602026e-01 -1.017706196e+00 3.88 -3.705383795e-01 -7.860256055e-01 -9.826305374e-01 3.90 -3.534330064e-01 -7.552927369e-01 -9.483211147e-01 3.92 -3.371773801e-01 -7.254466434e-01 -9.147670137e-01 3.94 -3.217263702e-01 -6.964719316e-01 -8.819572619e-01 3.96 -3.070336793e-01 -6.683528431e-01 -8.498811357e-01 3.98 -2.930519434e-01 -6.410732985e-01 -8.185282720e-01 4.00 -2.797332902e-01 -6.146169673e-01 -7.878887472e-01 4.02 -2.670298215e-01 -5.889673068e-01 -7.579531557e-01 4.04 -2.548940135e-01 -5.641076300e-01 -7.287126562e-01 4.06 -2.432780409e-01 -5.400211297e-01 -7.001590092e-01 4.08 -2.321362663e-01 -5.166909749e-01 -6.722846150e-01 4.10 -2.214273731e-01 -4.941003213e-01 -6.450825071e-01 4.12 -2.111081450e-01 -4.722324081e-01 -6.185463676e-01 4.14 -2.011394191e-01 -4.510706417e-01 -5.926705036e-01 4.16 -1.914820439e-01 -4.305986009e-01 -5.674498283e-01 4.18 -1.821018062e-01 -4.108002213e-01 -5.428798251e-01 4.20 -1.729942928e-01 -3.916598141e-01 -5.189565219e-01 4.22 -1.641563697e-01 -3.731621500e-01 -4.956763884e-01 4.24 -1.555469182e-01 -3.552925902e-01 -4.730363730e-01 4.26 -1.471328511e-01 -3.380370791e-01 -4.510337222e-01 4.28 -1.389122725e-01 -3.213823102e-01 -4.296659893e-01 4.30 -1.308838507e-01 -3.053152389e-01 -4.089309791e-01 4.32 -1.230201598e-01 -2.898238698e-01 -3.888265386e-01 4.34 -1.153645634e-01 -2.748974723e-01 -3.693506255e-01 4.36 -1.080353332e-01 -2.605226936e-01 -3.505012364e-01 4.38 -1.010932152e-01 -2.466830808e-01 -3.322760114e-01 4.40 -9.442664390e-02 -2.333819033e-01 -3.146726320e-01 4.42 -8.791752073e-02 -2.206089584e-01 -2.976885527e-01 4.44 -8.149404289e-02 -2.083235028e-01 -2.813200071e-01 4.46 -7.518965468e-02 -1.965144015e-01 -2.655630987e-01 4.48 -6.900446822e-02 -1.851577845e-01 -2.504168220e-01 4.50 -6.284560305e-02 -1.742977432e-01 -2.358742017e-01 4.52 -5.668453895e-02 -1.640074670e-01 -2.219279949e-01 4.54 -5.054475203e-02 -1.542099240e-01 -2.085646328e-01 4.56 -4.443785815e-02 -1.447973654e-01 -1.957830672e-01 4.58 -3.845997684e-02 -1.357291281e-01 -1.836043988e-01 4.60 -3.285993555e-02 -1.270168155e-01 -1.720073642e-01 4.62 -2.778852789e-02 -1.186115079e-01 -1.609445477e-01 4.64 -2.331371708e-02 -1.104947219e-01 -1.504005357e-01 4.66 -1.944279908e-02 -1.026537354e-01 -1.403692227e-01 4.68 -1.614272244e-02 -9.511446916e-02 -1.308325508e-01 4.70 -1.335725753e-02 -8.794750556e-02 -1.217640920e-01 4.72 -1.102025973e-02 -8.124259827e-02 -1.132405273e-01 4.74 -9.064932151e-03 -7.501334379e-02 -1.053170749e-01 4.76 -7.429531435e-03 -6.922016223e-02 -9.797335650e-02 4.78 -6.060262934e-03 -6.382257443e-02 -9.109096885e-02 4.80 -4.912183063e-03 -5.878172620e-02 -8.457952941e-02 4.82 -3.948839590e-03 -5.406161812e-02 -7.837708629e-02 4.84 -3.141219845e-03 -4.966083253e-02 -7.245291466e-02 4.86 -2.466404895e-03 -4.555010899e-02 -6.684033034e-02 4.88 -1.906179458e-03 -4.167278629e-02 -6.147189046e-02 4.90 -1.445735094e-03 -3.798429456e-02 -5.628495162e-02 4.92 -1.072527700e-03 -3.445044306e-02 -5.123951495e-02 4.94 -7.753089013e-04 -3.104620777e-02 -4.631268609e-02 4.96 -5.435103699e-04 -2.775492950e-02 -4.149499617e-02 4.98 -3.671913389e-04 -2.454361011e-02 -3.675814278e-02 5.00 -2.370827488e-04 -2.140822090e-02 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-5.461575171e-05 5.38 0.000000000e+00 -1.537776490e-05 -2.306664735e-05 5.40 0.000000000e+00 -5.374608045e-06 -8.061912067e-06 5.42 0.000000000e+00 -1.356505531e-06 -2.034758296e-06 5.44 0.000000000e+00 -1.442964238e-07 -2.164446356e-07 5.46 0.000000000e+00 4.150144378e-08 6.225216567e-08 5.48 0.000000000e+00 1.228145491e-08 1.842218237e-08 5.50 0.000000000e+00 8.135430375e-11 1.220314556e-10 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 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