# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2011--Apostol-F-Mishin-Y--Al-Cu # implementation = 2011--Apostol-F--Al-Cu--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Al Al Al Cu Cu Cu 0.02 5.645354958e+01 -6.487110031e-01 3.648714881e+03 0.04 5.431215757e+01 1.405255774e-01 3.479257524e+03 0.06 5.222881808e+01 8.938427296e-01 3.315317774e+03 0.08 5.020283915e+01 1.611836287e+00 3.156801519e+03 0.10 4.823350311e+01 2.295105105e+00 3.003614653e+03 0.12 4.632007563e+01 2.944250791e+00 2.855663069e+03 0.14 4.446180509e+01 3.559877418e+00 2.712852668e+03 0.16 4.265792424e+01 4.142591245e+00 2.575089353e+03 0.18 4.090765144e+01 4.693000439e+00 2.442279028e+03 0.20 3.921019181e+01 5.211714775e+00 2.314327603e+03 0.22 3.756473838e+01 5.699345360e+00 2.191140989e+03 0.24 3.597047312e+01 6.156504384e+00 2.072625100e+03 0.26 3.442656797e+01 6.583804904e+00 1.958685852e+03 0.28 3.293218578e+01 6.981860599e+00 1.849229163e+03 0.30 3.148648122e+01 7.351285507e+00 1.744160954e+03 0.32 3.008860161e+01 7.692693871e+00 1.643387145e+03 0.34 2.873768777e+01 8.006700057e+00 1.546813661e+03 0.36 2.743287471e+01 8.293918277e+00 1.454346424e+03 0.38 2.617329238e+01 8.554962461e+00 1.365891360e+03 0.40 2.495806633e+01 8.790446341e+00 1.281354395e+03 0.42 2.378631834e+01 9.000983131e+00 1.200641453e+03 0.44 2.265716697e+01 9.187185585e+00 1.123658463e+03 0.46 2.156972816e+01 9.349668629e+00 1.050311350e+03 0.48 2.052311570e+01 9.489052955e+00 9.805060413e+02 0.50 1.951644172e+01 9.605959304e+00 9.141484635e+02 0.52 1.854881714e+01 9.701006943e+00 8.511445431e+02 0.54 1.761935206e+01 9.774814133e+00 7.914002061e+02 0.56 1.672715614e+01 9.827997837e+00 7.348213785e+02 0.58 1.587133896e+01 9.861174120e+00 6.813139857e+02 0.60 1.505101033e+01 9.874957949e+00 6.307839735e+02 0.62 1.426528058e+01 9.869963608e+00 5.831373122e+02 0.64 1.351326086e+01 9.846804431e+00 5.382799616e+02 0.66 1.279406333e+01 9.806093399e+00 4.961178684e+02 0.68 1.210680142e+01 9.748442683e+00 4.565569668e+02 0.70 1.145059000e+01 9.674464367e+00 4.195031795e+02 0.72 1.082454560e+01 9.584770096e+00 3.848624190e+02 0.74 1.022778651e+01 9.479971410e+00 3.525405884e+02 0.76 9.659432948e+00 9.360680006e+00 3.224435826e+02 0.78 9.118607197e+00 9.227507477e+00 2.944772900e+02 0.80 8.604433675e+00 9.081065808e+00 2.685475931e+02 0.82 8.116039039e+00 8.921967405e+00 2.445603698e+02 0.84 7.652552259e+00 8.750824964e+00 2.224214948e+02 0.86 7.213104670e+00 8.568251917e+00 2.020368403e+02 0.88 6.796830021e+00 8.374862437e+00 1.833122769e+02 0.90 6.402864509e+00 8.171271350e+00 1.661536748e+02 0.92 6.030346798e+00 7.958094394e+00 1.504669044e+02 0.94 5.678418030e+00 7.735948380e+00 1.361578368e+02 0.96 5.346221830e+00 7.505451132e+00 1.231323447e+02 0.98 5.032904290e+00 7.267221496e+00 1.112963026e+02 1.00 4.737613960e+00 7.021879533e+00 1.005555875e+02 1.02 4.459502204e+00 6.770044381e+00 9.081619803e+01 1.04 4.197727454e+00 6.512316522e+00 8.198751787e+01 1.06 3.951465878e+00 6.249287418e+00 7.398785981e+01 1.08 3.719915149e+00 5.981550632e+00 6.674423950e+01 1.10 3.502294401e+00 5.709698928e+00 6.019094365e+01 1.12 3.297844189e+00 5.434336061e+00 5.426825370e+01 1.14 3.105826426e+00 5.156105169e+00 4.892130901e+01 1.16 2.925524330e+00 4.875673876e+00 4.409909433e+01 1.18 2.756242339e+00 4.593702873e+00 3.975353713e+01 1.20 2.597306035e+00 4.310847637e+00 3.583870376e+01 1.22 2.448062081e+00 4.027758935e+00 3.231026709e+01 1.24 2.307878146e+00 3.745082903e+00 2.912689216e+01 1.26 2.176142828e+00 3.463461521e+00 2.625169078e+01 1.28 2.052265569e+00 3.183532849e+00 2.365189757e+01 1.30 1.935676569e+00 2.905931362e+00 2.129841738e+01 1.32 1.825826719e+00 2.631288239e+00 1.916542136e+01 1.34 1.722187516e+00 2.360231643e+00 1.722998665e+01 1.36 1.624250987e+00 2.093386981e+00 1.547177441e+01 1.38 1.531529593e+00 1.831377119e+00 1.387274278e+01 1.40 1.443556161e+00 1.574822643e+00 1.241689051e+01 1.42 1.359883803e+00 1.324342072e+00 1.109002774e+01 1.44 1.280085845e+00 1.080552076e+00 9.879571495e+00 1.46 1.203755738e+00 8.440676420e-01 8.774362962e+00 1.48 1.130506988e+00 6.155022558e-01 7.764503606e+00 1.50 1.059973081e+00 3.954680744e-01 6.841209173e+00 1.52 9.918074186e-01 1.845760993e-01 5.996679325e+00 1.54 9.256832391e-01 -1.656368862e-02 5.223980047e+00 1.56 8.612935566e-01 -2.073422060e-01 4.516939315e+00 1.58 7.983510861e-01 -3.871511330e-01 3.870053423e+00 1.60 7.365881907e-01 -5.553827831e-01 3.278402567e+00 1.62 6.757568203e-01 -7.116054553e-01 2.737576474e+00 1.64 6.156284468e-01 -8.560895734e-01 2.243606020e+00 1.66 5.559940112e-01 -9.892813723e-01 1.792903697e+00 1.68 4.966638735e-01 -1.111627336e+00 1.382208720e+00 1.70 4.374677608e-01 -1.223574117e+00 1.008538917e+00 1.72 3.782547238e-01 -1.325568474e+00 6.691468048e-01 1.74 3.188930866e-01 -1.418057207e+00 3.614805506e-01 1.76 2.592704073e-01 -1.501487094e+00 8.314866985e-02 1.78 1.992934393e-01 -1.576304841e+00 -1.681114722e-01 1.80 1.388881024e-01 -1.642957015e+00 -3.944622680e-01 1.82 7.799944054e-02 -1.701890016e+00 -5.979846668e-01 1.84 1.659159998e-02 -1.753550024e+00 -7.806314629e-01 1.86 -4.535220621e-02 -1.798382972e+00 -9.441765924e-01 1.88 -1.078297145e-01 -1.836834496e+00 -1.090228672e+00 1.90 -1.708196274e-01 -1.869349916e+00 -1.220246374e+00 1.92 -2.342816435e-01 -1.896374201e+00 -1.335554856e+00 1.94 -2.981564649e-01 -1.918351949e+00 -1.437358654e+00 1.96 -3.623658137e-01 -1.935727361e+00 -1.526754044e+00 1.98 -4.268124301e-01 -1.948944218e+00 -1.604740864e+00 2.00 -4.913800890e-01 -1.958445864e+00 -1.672231488e+00 2.02 -5.559344014e-01 -1.964682245e+00 -1.730060796e+00 2.04 -6.203316168e-01 -1.968131041e+00 -1.778994300e+00 2.06 -6.844274161e-01 -1.969276503e+00 -1.819734812e+00 2.08 -7.480777063e-01 -1.968602383e+00 -1.852930224e+00 2.10 -8.111386149e-01 -1.966591922e+00 -1.879179117e+00 2.12 -8.734664831e-01 -1.963727838e+00 -1.899035930e+00 2.14 -9.349178519e-01 -1.960492315e+00 -1.913016712e+00 2.16 -9.953494400e-01 -1.957366994e+00 -1.921603427e+00 2.18 -1.054618128e+00 -1.954832963e+00 -1.925247608e+00 2.20 -1.112580940e+00 -1.953370744e+00 -1.924374674e+00 2.22 -1.169095023e+00 -1.953313942e+00 -1.919387486e+00 2.24 -1.224017615e+00 -1.954410227e+00 -1.910668896e+00 2.26 -1.277206016e+00 -1.956260325e+00 -1.898584096e+00 2.28 -1.328517557e+00 -1.958464359e+00 -1.883476554e+00 2.30 -1.377809572e+00 -1.960621829e+00 -1.865663203e+00 2.32 -1.424939357e+00 -1.962331605e+00 -1.845435573e+00 2.34 -1.469764131e+00 -1.963191908e+00 -1.823061984e+00 2.36 -1.512140990e+00 -1.962800296e+00 -1.798789620e+00 2.38 -1.551926871e+00 -1.960753651e+00 -1.772846010e+00 2.40 -1.588978498e+00 -1.956648151e+00 -1.745440424e+00 2.42 -1.623186462e+00 -1.950185947e+00 -1.716765132e+00 2.44 -1.654577512e+00 -1.941495115e+00 -1.686997044e+00 2.46 -1.683212153e+00 -1.930809661e+00 -1.656298799e+00 2.48 -1.709150462e+00 -1.918362793e+00 -1.624819837e+00 2.50 -1.732452027e+00 -1.904386900e+00 -1.592697116e+00 2.52 -1.753175880e+00 -1.889113523e+00 -1.560056203e+00 2.54 -1.771380430e+00 -1.872773314e+00 -1.527012208e+00 2.56 -1.787123390e+00 -1.855596001e+00 -1.493670549e+00 2.58 -1.800461704e+00 -1.837810347e+00 -1.460127688e+00 2.60 -1.811451466e+00 -1.819644097e+00 -1.426471574e+00 2.62 -1.820147836e+00 -1.801228652e+00 -1.392782386e+00 2.64 -1.826604957e+00 -1.782313203e+00 -1.359133088e+00 2.66 -1.830875857e+00 -1.762550476e+00 -1.325589990e+00 2.68 -1.833012360e+00 -1.741591946e+00 -1.292213295e+00 2.70 -1.833064981e+00 -1.719087767e+00 -1.259057473e+00 2.72 -1.831082821e+00 -1.694686686e+00 -1.226171647e+00 2.74 -1.827113459e+00 -1.668035952e+00 -1.193600032e+00 2.76 -1.821202830e+00 -1.638781227e+00 -1.161382210e+00 2.78 -1.813395108e+00 -1.606566484e+00 -1.129553520e+00 2.80 -1.803732576e+00 -1.571033890e+00 -1.098145423e+00 2.82 -1.792258786e+00 -1.531996965e+00 -1.067185772e+00 2.84 -1.779028992e+00 -1.489960717e+00 -1.036699049e+00 2.86 -1.764101485e+00 -1.445602907e+00 -1.006706633e+00 2.88 -1.747534643e+00 -1.399600996e+00 -9.772270464e-01 2.90 -1.729387105e+00 -1.352632304e+00 -9.482761202e-01 2.92 -1.709717942e+00 -1.305374198e+00 -9.198671751e-01 2.94 -1.688586826e+00 -1.258504210e+00 -8.920112786e-01 2.96 -1.666054187e+00 -1.212700186e+00 -8.647174387e-01 2.98 -1.642181367e+00 -1.168640418e+00 -8.379927389e-01 3.00 -1.617030773e+00 -1.127003693e+00 -8.118424986e-01 3.02 -1.590666015e+00 -1.088311350e+00 -7.862704226e-01 3.04 -1.563153249e+00 -1.052453673e+00 -7.612787315e-01 3.06 -1.534564181e+00 -1.019166304e+00 -7.368682817e-01 3.08 -1.504973174e+00 -9.881867150e-01 -7.130386835e-01 3.10 -1.474456581e+00 -9.592538067e-01 -6.897884108e-01 3.12 -1.443092859e+00 -9.321081058e-01 -6.671148987e-01 3.14 -1.410962683e+00 -9.064919349e-01 -6.450146382e-01 3.16 -1.378149044e+00 -8.821496158e-01 -6.234832651e-01 3.18 -1.344737342e+00 -8.588274992e-01 -6.025156426e-01 3.20 -1.310815459e+00 -8.362740774e-01 -5.821059374e-01 3.22 -1.276470072e+00 -8.142764531e-01 -5.622476892e-01 3.24 -1.241775451e+00 -7.927697676e-01 -5.429338778e-01 3.26 -1.206804751e+00 -7.717280896e-01 -5.241569859e-01 3.28 -1.171633799e+00 -7.511280984e-01 -5.059090561e-01 3.30 -1.136341099e+00 -7.309489976e-01 -4.881817435e-01 3.32 -1.101007830e+00 -7.111727439e-01 -4.709663659e-01 3.34 -1.065717826e+00 -6.917840898e-01 -4.542539488e-01 3.36 -1.030557549e+00 -6.727706610e-01 -4.380352698e-01 3.38 -9.956160316e-01 -6.541228115e-01 -4.223008978e-01 3.40 -9.609848111e-01 -6.358336491e-01 -4.070412280e-01 3.42 -9.267578449e-01 -6.178990178e-01 -3.922465168e-01 3.44 -8.930314073e-01 -6.003175174e-01 -3.779069128e-01 3.46 -8.599039737e-01 -5.830904191e-01 -3.640124862e-01 3.48 -8.274760774e-01 -5.662214886e-01 -3.505532553e-01 3.50 -7.958501516e-01 -5.497168770e-01 -3.375192089e-01 3.52 -7.651151314e-01 -5.335838823e-01 -3.249003307e-01 3.54 -7.352996750e-01 -5.178267757e-01 -3.126866187e-01 3.56 -7.064161125e-01 -5.024480398e-01 -3.008681055e-01 3.58 -6.784754618e-01 -4.874491101e-01 -2.894348734e-01 3.60 -6.514874687e-01 -4.728304194e-01 -2.783770701e-01 3.62 -6.254606486e-01 -4.585913511e-01 -2.676849232e-01 3.64 -6.004023269e-01 -4.447302428e-01 -2.573487538e-01 3.66 -5.763186813e-01 -4.312444861e-01 -2.473589867e-01 3.68 -5.532147802e-01 -4.181305341e-01 -2.377061608e-01 3.70 -5.310946258e-01 -4.053839184e-01 -2.283809383e-01 3.72 -5.099564873e-01 -3.929992870e-01 -2.193741166e-01 3.74 -4.897788173e-01 -3.809704286e-01 -2.106766746e-01 3.76 -4.705344177e-01 -3.692902938e-01 -2.022796862e-01 3.78 -4.521951882e-01 -3.579510281e-01 -1.941743593e-01 3.80 -4.347321679e-01 -3.469440072e-01 -1.863520608e-01 3.82 -4.181155768e-01 -3.362598719e-01 -1.788043199e-01 3.84 -4.023148534e-01 -3.258885623e-01 -1.715228315e-01 3.86 -3.872986938e-01 -3.158193547e-01 -1.644994572e-01 3.88 -3.730350901e-01 -3.060408987e-01 -1.577262279e-01 3.90 -3.594913682e-01 -2.965412556e-01 -1.511953449e-01 3.92 -3.466342251e-01 -2.873079375e-01 -1.448991813e-01 3.94 -3.344297631e-01 -2.783279452e-01 -1.388302817e-01 3.96 -3.228435256e-01 -2.695878079e-01 -1.329813625e-01 3.98 -3.118405303e-01 -2.610736220e-01 -1.273453113e-01 4.00 -3.013853028e-01 -2.527710909e-01 -1.219151869e-01 4.02 -2.914442843e-01 -2.446673078e-01 -1.166842182e-01 4.04 -2.819929877e-01 -2.367560223e-01 -1.116457909e-01 4.06 -2.730089007e-01 -2.290320575e-01 -1.067915584e-01 4.08 -2.644691388e-01 -2.214902207e-01 -1.021144287e-01 4.10 -2.563504724e-01 -2.141254325e-01 -9.760900776e-02 4.12 -2.486293527e-01 -2.069324223e-01 -9.326994605e-02 4.14 -2.412819350e-01 -1.999057660e-01 -8.909195175e-02 4.16 -2.342841031e-01 -1.930399229e-01 -8.506980298e-02 4.18 -2.276114906e-01 -1.863292710e-01 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