# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AuMg3 # 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 2024-04-11 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 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 4.390243462e+02 nan nan 1.16 4.035630353e+02 nan nan 1.18 3.710564256e+02 nan nan 1.20 3.412389314e+02 nan nan 1.22 3.138702740e+02 nan nan 1.24 2.887338048e+02 nan nan 1.26 2.656347466e+02 nan nan 1.28 2.443974641e+02 3.796224345e+02 4.353738988e+02 1.30 2.248626964e+02 3.514264742e+02 4.037778688e+02 1.32 2.068857840e+02 3.253683089e+02 3.745426829e+02 1.34 1.903354543e+02 3.012739808e+02 3.474780297e+02 1.36 1.750924055e+02 2.789859082e+02 3.224103780e+02 1.38 1.610478357e+02 2.583613776e+02 2.991809552e+02 1.40 1.481025143e+02 2.392702927e+02 2.776443881e+02 1.42 1.361662633e+02 2.215928903e+02 2.576681056e+02 1.44 1.251572881e+02 2.052181826e+02 2.391317840e+02 1.46 1.150035788e+02 1.900433668e+02 2.219261317e+02 1.48 1.056512213e+02 1.759739348e+02 2.059511506e+02 1.50 9.703792181e+01 1.629239008e+02 1.911146167e+02 1.52 8.910343568e+01 1.508155349e+02 1.773312679e+02 1.54 8.179322384e+01 1.395784320e+02 1.645225382e+02 1.56 7.505745401e+01 1.291482933e+02 1.526163881e+02 1.58 6.885043526e+01 1.194658766e+02 1.415468741e+02 1.60 6.313019583e+01 1.104831738e+02 1.312534254e+02 1.62 5.785815796e+01 1.021574669e+02 1.216800399e+02 1.64 5.299889803e+01 9.443941506e+01 1.127771191e+02 1.66 4.851994986e+01 8.728300184e+01 1.045070914e+02 1.68 4.439159314e+01 8.064614860e+01 9.682466080e+01 1.70 4.058661518e+01 7.449013312e+01 8.968618158e+01 1.72 3.708005507e+01 6.877945362e+01 8.305212566e+01 1.74 3.384896914e+01 6.348163744e+01 7.688638970e+01 1.76 3.087222530e+01 5.856694808e+01 7.115581185e+01 1.78 2.813031099e+01 5.400804537e+01 6.582978010e+01 1.80 2.560514337e+01 4.977965030e+01 6.087990184e+01 1.82 2.327989359e+01 4.585826749e+01 5.627973217e+01 1.84 2.113886382e+01 4.222198324e+01 5.200456735e+01 1.86 1.916744626e+01 3.885035253e+01 4.803129244e+01 1.88 1.735214858e+01 3.572431707e+01 4.433829588e+01 1.90 1.568063252e+01 3.282612738e+01 4.090544755e+01 1.92 1.414170455e+01 3.013925033e+01 3.771410512e+01 1.94 1.272522974e+01 2.764828308e+01 3.474711527e+01 1.96 1.142199138e+01 2.533889366e+01 3.198875086e+01 1.98 1.022354445e+01 2.319779680e+01 2.942458095e+01 2.00 9.122095255e+00 2.121274127e+01 2.704130893e+01 2.02 8.110410646e+00 1.937247707e+01 2.482662161e+01 2.04 7.181760541e+00 1.766669034e+01 2.276907591e+01 2.06 6.329874758e+00 1.608590878e+01 2.085801346e+01 2.08 5.548915223e+00 1.462139367e+01 1.908349301e+01 2.10 4.833451490e+00 1.326504085e+01 1.743622741e+01 2.12 4.178433149e+00 1.200930454e+01 1.590753246e+01 2.14 3.579158559e+00 1.084714524e+01 1.448928574e+01 2.16 3.031243259e+00 9.771996050e+00 1.317389104e+01 2.18 2.530603433e+00 8.777732835e+00 1.195424279e+01 2.20 2.073446542e+00 7.858647234e+00 1.082368598e+01 2.22 1.656274077e+00 7.009416901e+00 9.775988956e+00 2.24 1.275880646e+00 6.225083082e+00 8.805320791e+00 2.26 9.293436312e-01 5.501035238e+00 7.906246423e+00 2.28 6.139997397e-01 4.832997669e+00 7.073723231e+00 2.30 3.274155388e-01 4.217018716e+00 6.303095151e+00 2.32 6.727686336e-02 3.649446480e+00 5.590067040e+00 2.34 -1.684489562e-01 3.126906544e+00 4.930668762e+00 2.36 -3.815582746e-01 2.646269908e+00 4.321214136e+00 2.38 -5.737336032e-01 2.204624782e+00 3.758263029e+00 2.40 -7.465487300e-01 1.799250352e+00 3.238597684e+00 2.42 -9.014744657e-01 1.427593011e+00 2.759206667e+00 2.44 -1.039885772e+00 1.087249048e+00 2.317277621e+00 2.46 -1.163066254e+00 7.759498323e-01 1.910190137e+00 2.48 -1.272208868e+00 4.915534192e-01 1.535505625e+00 2.50 -1.368430357e+00 2.320401294e-01 1.190951954e+00 2.52 -1.452775710e+00 -4.530889549e-03 8.744121516e-01 2.54 -1.526218171e+00 -2.199742646e-01 5.839108834e-01 2.56 -1.589661362e+00 -4.158663409e-01 3.176067834e-01 2.58 -1.643937762e+00 -5.936893446e-01 7.378487447e-02 2.60 -1.689814686e+00 -7.548342012e-01 -1.492179395e-01 2.62 -1.727998660e+00 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-1.683317362e+00 -1.880831594e+00 -1.867663876e+00 3.00 -1.662378371e+00 -1.880617348e+00 -1.881619930e+00 3.02 -1.640743499e+00 -1.877378778e+00 -1.891820318e+00 3.04 -1.618466752e+00 -1.871430411e+00 -1.898568562e+00 3.06 -1.595511441e+00 -1.863074909e+00 -1.902141761e+00 3.08 -1.571844244e+00 -1.852596984e+00 -1.902796518e+00 3.10 -1.547456532e+00 -1.840261842e+00 -1.900773244e+00 3.12 -1.522360231e+00 -1.826323685e+00 -1.896298915e+00 3.14 -1.496584046e+00 -1.811002745e+00 -1.889588507e+00 3.16 -1.470169866e+00 -1.794501166e+00 -1.880845377e+00 3.18 -1.443169352e+00 -1.776963177e+00 -1.870260920e+00 3.20 -1.415640815e+00 -1.758486281e+00 -1.858013736e+00 3.22 -1.387646547e+00 -1.739161197e+00 -1.844280029e+00 3.24 -1.359250774e+00 -1.719074077e+00 -1.829258439e+00 3.26 -1.330518344e+00 -1.698308585e+00 -1.813045843e+00 3.28 -1.301514134e+00 -1.676942006e+00 -1.795723364e+00 3.30 -1.272303022e+00 -1.655026141e+00 -1.777371258e+00 3.32 -1.242950146e+00 -1.632601122e+00 -1.758068615e+00 3.34 -1.213520920e+00 -1.609666573e+00 -1.737893366e+00 3.36 -1.184081870e+00 -1.586218424e+00 -1.716922456e+00 3.38 -1.154698528e+00 -1.562265953e+00 -1.695232000e+00 3.40 -1.125435334e+00 -1.537827663e+00 -1.672878298e+00 3.42 -1.096353540e+00 -1.512929027e+00 -1.649854807e+00 3.44 -1.067510880e+00 -1.487600022e+00 -1.626158023e+00 3.46 -1.038958379e+00 -1.461874634e+00 -1.601802679e+00 3.48 -1.010741060e+00 -1.435790049e+00 -1.576818978e+00 3.50 -9.828971867e-01 -1.409386121e+00 -1.551249457e+00 3.52 -9.554597704e-01 -1.382704813e+00 -1.525149146e+00 3.54 -9.284553337e-01 -1.355789569e+00 -1.498578967e+00 3.56 -9.019058970e-01 -1.328684655e+00 -1.471606349e+00 3.58 -8.758292713e-01 -1.301434481e+00 -1.444302238e+00 3.60 -8.502396361e-01 -1.274082974e+00 -1.416739099e+00 3.62 -8.251480544e-01 -1.246673023e+00 -1.388989131e+00 3.64 -8.005629299e-01 -1.219246044e+00 -1.361122629e+00 3.66 -7.764904059e-01 -1.191841654e+00 -1.333206431e+00 3.68 -7.529346976e-01 -1.164497485e+00 -1.305302473e+00 3.70 -7.298983546e-01 -1.137249136e+00 -1.277466513e+00 3.72 -7.073824554e-01 -1.110130242e+00 -1.249747217e+00 3.74 -6.853867477e-01 -1.083172673e+00 -1.222185743e+00 3.76 -6.639097486e-01 -1.056406802e+00 -1.194815915e+00 3.78 -6.429488232e-01 -1.029861821e+00 -1.167664938e+00 3.80 -6.225002524e-01 -1.003566020e+00 -1.140754499e+00 3.82 -6.025593002e-01 -9.775469751e-01 -1.114102044e+00 3.84 -5.831202810e-01 -9.518315404e-01 -1.087722032e+00 3.86 -5.641766274e-01 -9.264456266e-01 -1.061627014e+00 3.88 -5.457209537e-01 -9.014137342e-01 -1.035828472e+00 3.90 -5.277451110e-01 -8.767583116e-01 -1.010337387e+00 3.92 -5.102399785e-01 -8.524987609e-01 -9.851641893e-01 3.94 -4.931965376e-01 -8.286519754e-01 -9.603205024e-01 3.96 -4.766042207e-01 -8.052300343e-01 -9.358166047e-01 3.98 -4.604520828e-01 -7.822413713e-01 -9.116631231e-01 4.00 -4.447284762e-01 -7.596905807e-01 -8.878704049e-01 4.02 -4.294210386e-01 -7.375788423e-01 -8.644483442e-01 4.04 -4.145166900e-01 -7.159045364e-01 -8.414062072e-01 4.06 -4.000016449e-01 -6.946639554e-01 -8.187524718e-01 4.08 -3.858614510e-01 -6.738520380e-01 -7.964946916e-01 4.10 -3.720810604e-01 -6.534622027e-01 -7.746393901e-01 4.12 -3.586449433e-01 -6.334906285e-01 -7.531919850e-01 4.14 -3.455372499e-01 -6.139310635e-01 -7.321567449e-01 4.16 -3.327420298e-01 -5.947793718e-01 -7.115367753e-01 4.18 -3.202435111e-01 -5.760328481e-01 -6.913340316e-01 4.20 -3.080257909e-01 -5.576905183e-01 -6.715493570e-01 4.22 -2.960759958e-01 -5.397533205e-01 -6.521825433e-01 4.24 -2.843804102e-01 -5.222241443e-01 -6.332324115e-01 4.26 -2.729280610e-01 -5.051077010e-01 -6.146969106e-01 4.28 -2.617104498e-01 -4.884102108e-01 -5.965732327e-01 4.30 -2.507220971e-01 -4.721389059e-01 -5.788579389e-01 4.32 -2.399610370e-01 -4.563013760e-01 -5.615470923e-01 4.34 -2.294292069e-01 -4.409048043e-01 -5.446363895e-01 4.36 -2.191325276e-01 -4.259551682e-01 -5.281212785e-01 4.38 -2.090814822e-01 -4.114564859e-01 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-2.192615224e-02 -3.213688612e-02 5.82 -6.474807572e-03 -2.107235758e-02 -3.096355676e-02 5.84 -6.155277947e-03 -2.024951191e-02 -2.982206905e-02 5.86 -5.853055561e-03 -1.945500024e-02 -2.871029543e-02 5.88 -5.567016786e-03 -1.868636898e-02 -2.762618052e-02 5.90 -5.295991088e-03 -1.794132445e-02 -2.656774062e-02 5.92 -5.038788921e-03 -1.721773038e-02 -2.553306647e-02 5.94 -4.794227564e-03 -1.651360548e-02 -2.452032948e-02 5.96 -4.561153890e-03 -1.582712229e-02 -2.352778818e-02 5.98 -4.338463598e-03 -1.515660766e-02 -2.255378281e-02 6.00 -4.125116886e-03 -1.450054584e-02 -2.159679994e-02