# 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 = AuCo3 # 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 2.126248292e+02 nan nan 1.16 1.941735421e+02 nan nan 1.18 1.773106782e+02 nan nan 1.20 1.618912773e+02 nan nan 1.22 1.477836438e+02 nan nan 1.24 1.348684500e+02 nan nan 1.26 1.230377465e+02 nan nan 1.28 1.121941845e+02 1.815904422e+02 2.109109117e+02 1.30 1.022504169e+02 1.670028732e+02 1.944598804e+02 1.32 9.312810107e+01 1.535602783e+02 1.792778426e+02 1.34 8.475644481e+01 1.411668686e+02 1.652596570e+02 1.36 7.707097000e+01 1.297354343e+02 1.523100871e+02 1.38 7.001287679e+01 1.191868265e+02 1.403426717e+02 1.40 6.352870205e+01 1.094493643e+02 1.292786676e+02 1.42 5.756982801e+01 1.004579993e+02 1.190462316e+02 1.44 5.209190713e+01 9.215330180e+01 1.095797237e+02 1.46 4.705448119e+01 8.448064035e+01 1.008190705e+02 1.48 4.242083864e+01 7.738974250e+01 9.270921253e+01 1.50 3.815788016e+01 7.083448097e+01 8.519959061e+01 1.52 3.424420406e+01 6.477264294e+01 7.824368357e+01 1.54 3.066332256e+01 5.916561777e+01 7.179868060e+01 1.56 2.739008511e+01 5.397807460e+01 6.582525237e+01 1.58 2.439896038e+01 4.917764973e+01 6.028734897e+01 1.60 2.166633227e+01 4.473462247e+01 5.515201031e+01 1.62 1.917041601e+01 4.062160735e+01 5.038913804e+01 1.64 1.689119158e+01 3.681338551e+01 4.597115923e+01 1.66 1.481040002e+01 3.329619183e+01 4.187264348e+01 1.68 1.291149419e+01 3.005503654e+01 3.807001264e+01 1.70 1.117949864e+01 2.707008831e+01 3.454529327e+01 1.72 9.600805827e+00 2.432139482e+01 3.128879164e+01 1.74 8.162949883e+00 2.179064433e+01 2.828302721e+01 1.76 6.854409082e+00 1.946103522e+01 2.550946731e+01 1.78 5.664479668e+00 1.731715080e+01 2.295078748e+01 1.80 4.583219166e+00 1.534489126e+01 2.059107029e+01 1.82 3.601426036e+00 1.353140302e+01 1.841564920e+01 1.84 2.710632223e+00 1.186495744e+01 1.641092858e+01 1.86 1.903096268e+00 1.033479494e+01 1.456420117e+01 1.88 1.171782308e+00 8.930969658e+00 1.286351417e+01 1.90 5.103222494e-01 7.644208330e+00 1.129763316e+01 1.92 -8.702963504e-02 6.465789398e+00 9.856102998e+00 1.94 -6.254492198e-01 5.387457849e+00 8.529334030e+00 1.96 -1.109607612e+00 4.401393156e+00 7.308625426e+00 1.98 -1.543745332e+00 3.500230135e+00 6.186095973e+00 2.00 -1.931744753e+00 2.677111473e+00 5.154561408e+00 2.02 -2.277192018e+00 1.925739833e+00 4.207416997e+00 2.04 -2.583425698e+00 1.240398203e+00 3.338560901e+00 2.06 -2.853574391e+00 6.159221122e-01 2.542359931e+00 2.08 -3.090587086e+00 4.763213382e-02 1.813635215e+00 2.10 -3.297257859e+00 -4.687481835e-01 1.147640316e+00 2.12 -3.476242530e+00 -9.371651455e-01 5.400167368e-01 2.14 -3.630064298e+00 -1.361285577e+00 -1.327202328e-02 2.16 -3.761109527e+00 -1.744522668e+00 -5.160171881e-01 2.18 -3.871618306e+00 -2.090042243e+00 -9.718379169e-01 2.20 -3.963671994e+00 -2.400760752e+00 -1.384234555e+00 2.22 -4.039176480e+00 -2.679347566e+00 -1.756605956e+00 2.24 -4.099842888e+00 -2.928238560e+00 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-4.240467305e+00 -4.318840099e+00 2.62 -3.587915183e+00 -4.212792466e+00 -4.319899586e+00 2.64 -3.509232689e+00 -4.180038110e+00 -4.313958683e+00 2.66 -3.428612883e+00 -4.142650137e+00 -4.301406766e+00 2.68 -3.346568348e+00 -4.101032875e+00 -4.282588913e+00 2.70 -3.263595163e+00 -4.055529906e+00 -4.257683495e+00 2.72 -3.180148848e+00 -4.006423453e+00 -4.226823948e+00 2.74 -3.096630229e+00 -3.953957074e+00 -4.190197504e+00 2.76 -3.013382781e+00 -3.898352388e+00 -4.148043371e+00 2.78 -2.930697104e+00 -3.839821145e+00 -4.100653910e+00 2.80 -2.848817023e+00 -3.778572454e+00 -4.048376997e+00 2.82 -2.767944507e+00 -3.714815674e+00 -3.991632567e+00 2.84 -2.688243653e+00 -3.648760487e+00 -3.930917890e+00 2.86 -2.609844850e+00 -3.580615838e+00 -3.866798981e+00 2.88 -2.532849460e+00 -3.510589184e+00 -3.799886620e+00 2.90 -2.457334325e+00 -3.438887161e+00 -3.730798647e+00 2.92 -2.383355344e+00 -3.365718298e+00 -3.660116627e+00 2.94 -2.310949979e+00 -3.291297928e+00 -3.588348264e+00 2.96 -2.240139217e+00 -3.215854719e+00 -3.515904983e+00 2.98 -2.170929734e+00 -3.139637320e+00 -3.443098005e+00 3.00 -2.103316700e+00 -3.062918786e+00 -3.370149763e+00 3.02 -2.037287170e+00 -2.985995996e+00 -3.297213933e+00 3.04 -1.972823644e+00 -2.909181969e+00 -3.224397262e+00 3.06 -1.909907249e+00 -2.832790919e+00 -3.151778495e+00 3.08 -1.848520121e+00 -2.757118588e+00 -3.079422343e+00 3.10 -1.788646744e+00 -2.682422606e+00 -3.007388355e+00 3.12 -1.730274283e+00 -2.608907917e+00 -2.935735613e+00 3.14 -1.673392066e+00 -2.536720580e+00 -2.864524489e+00 3.16 -1.617990531e+00 -2.465950289e+00 -2.793816573e+00 3.18 -1.564059927e+00 -2.396639507e+00 -2.723673658e+00 3.20 -1.511589057e+00 -2.328795889e+00 -2.654156346e+00 3.22 -1.460564261e+00 -2.262404943e+00 -2.585322657e+00 3.24 -1.410968770e+00 -2.197440861e+00 -2.517226840e+00 3.26 -1.362782484e+00 -2.133874585e+00 -2.449918518e+00 3.28 -1.315982130e+00 -2.071679021e+00 -2.383442227e+00 3.30 -1.270541769e+00 -2.010831820e+00 -2.317837400e+00 3.32 -1.226433507e+00 -1.951316334e+00 -2.253138845e+00 3.34 -1.183628318e+00 -1.893121330e+00 -2.189377749e+00 3.36 -1.142096835e+00 -1.836240002e+00 -2.126583221e+00 3.38 -1.101810011e+00 -1.780668661e+00 -2.064784332e+00 3.40 -1.062739585e+00 -1.726405364e+00 -2.004012501e+00 3.42 -1.024858310e+00 -1.673448658e+00 -1.944303953e+00 3.44 -9.881399734e-01 -1.621796492e+00 -1.885701783e+00 3.46 -9.525592414e-01 -1.571445355e+00 -1.828257055e+00 3.48 -9.180913880e-01 -1.522389605e+00 -1.772028344e+00 3.50 -8.847119661e-01 -1.474620978e+00 -1.717079318e+00 3.52 -8.523964663e-01 -1.428128252e+00 -1.663474374e+00 3.54 -8.211199963e-01 -1.382897056e+00 -1.611272882e+00 3.56 -7.908570037e-01 -1.338909789e+00 -1.560523074e+00 3.58 -7.615810499e-01 -1.296145669e+00 -1.511256829e+00 3.60 -7.332646432e-01 -1.254580897e+00 -1.463486390e+00 3.62 -7.058791287e-01 -1.214188947e+00 -1.417203552e+00 3.64 -6.793946376e-01 -1.174940973e+00 -1.372381243e+00 3.66 -6.537800896e-01 -1.136806328e+00 -1.328976917e+00 3.68 -6.290032463e-01 -1.099753172e+00 -1.286936945e+00 3.70 -6.050308068e-01 -1.063749118e+00 -1.246201223e+00 3.72 -5.818285427e-01 -1.028761883e+00 -1.206707386e+00 3.74 -5.593614669e-01 -9.947598787e-01 -1.168394260e+00 3.76 -5.375940425e-01 -9.617126775e-01 -1.131204396e+00 3.78 -5.164904401e-01 -9.295913326e-01 -1.095085684e+00 3.80 -4.960148694e-01 -8.983685109e-01 -1.059992154e+00 3.82 -4.761320131e-01 -8.680184518e-01 -1.025884106e+00 3.84 -4.568076029e-01 -8.385167722e-01 -9.927277540e-01 3.86 -4.380091705e-01 -8.098401582e-01 -9.604945424e-01 3.88 -4.197069938e-01 -7.819659926e-01 -9.291602844e-01 3.90 -4.018752259e-01 -7.548719657e-01 -8.987042512e-01 3.92 -3.844931469e-01 -7.285357113e-01 -8.691082921e-01 3.94 -3.675464145e-01 -7.029345031e-01 -8.403560517e-01 3.96 -3.510281134e-01 -6.780450311e-01 -8.124323025e-01 3.98 -3.349393572e-01 -6.538432810e-01 -7.853224161e-01 4.00 -3.192891708e-01 -6.303045252e-01 -7.590119573e-01 4.02 -3.040934359e-01 -6.074034391e-01 -7.334863907e-01 4.04 -2.893728175e-01 -5.851143528e-01 -7.087308835e-01 4.06 -2.751497950e-01 -5.634116513e-01 -6.847301832e-01 4.08 -2.614451455e-01 -5.422703306e-01 -6.614685559e-01 4.10 -2.482744090e-01 -5.216667144e-01 -6.389297675e-01 4.12 -2.356449177e-01 -5.015793255e-01 -6.170970974e-01 4.14 -2.235538822e-01 -4.819898664e-01 -5.959533722e-01 4.16 -2.119878062e-01 -4.628842703e-01 -5.754810113e-01 4.18 -2.009232363e-01 -4.442537070e-01 -5.556620794e-01 4.20 -1.903286200e-01 -4.260954165e-01 -5.364783379e-01 4.22 -1.801669040e-01 -4.084132059e-01 -5.179112943e-01 4.24 -1.703984757e-01 -3.912174392e-01 -4.999422446e-01 4.26 -1.609841062e-01 -3.745243830e-01 -4.825523083e-01 4.28 -1.518876388e-01 -3.583548434e-01 -4.657224539e-01 4.30 -1.430782665e-01 -3.427321454e-01 -4.494335148e-01 4.32 -1.345322993e-01 -3.276796333e-01 -4.336661954e-01 4.34 -1.262343640e-01 -3.132179869e-01 -4.184010676e-01 4.36 -1.181779853e-01 -2.993627059e-01 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-1.326631353e-01 -1.962053872e-01 4.74 -2.535703702e-02 -1.259484439e-01 -1.865484249e-01 4.76 -2.338313740e-02 -1.193179269e-01 -1.769558462e-01 4.78 -2.155652388e-02 -1.127595398e-01 -1.674192901e-01 4.80 -1.985758652e-02 -1.062659341e-01 -1.579358687e-01 4.82 -1.826945187e-02 -9.983493528e-02 -1.485091081e-01 4.84 -1.677809104e-02 -9.346993233e-02 -1.391497429e-01 4.86 -1.537251390e-02 -8.718011184e-02 -1.298762453e-01 4.88 -1.404442794e-02 -8.098043926e-02 -1.207149593e-01 4.90 -1.278802002e-02 -7.489131395e-02 -1.116997253e-01 4.92 -1.159965832e-02 -6.893784285e-02 -1.028709129e-01 4.94 -1.047751716e-02 -6.314872004e-02 -9.427384618e-02 4.96 -9.421141023e-03 -5.755475342e-02 -8.595668072e-02 4.98 -8.430973071e-03 -5.218713590e-02 -7.796788287e-02 5.00 -7.507881638e-03 -4.707560975e-02 -7.035353231e-02 5.02 -6.652721382e-03 -4.224670137e-02 -6.315471422e-02 5.04 -5.865963810e-03 -3.772220054e-02 -5.640526677e-02 5.06 -5.147423553e-03 -3.351802846e-02 -5.013010177e-02 5.08 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-1.481476802e-04 -2.218679336e-04 5.80 -1.376040160e-05 -1.275213071e-04 -1.909762467e-04 5.82 -1.176971271e-05 -1.098333192e-04 -1.644855174e-04 5.84 -1.007382046e-05 -9.465633061e-05 -1.417556004e-04 5.86 -8.628099092e-06 -8.162622466e-05 -1.222411205e-04 5.88 -7.394814796e-06 -7.043266565e-05 -1.054772594e-04 5.90 -6.342042890e-06 -6.081104182e-05 -9.106768691e-05 5.92 -5.442757331e-06 -5.253562465e-05 -7.867431387e-05 5.94 -4.674064966e-06 -4.541376136e-05 -6.800859323e-05 5.96 -4.016561322e-06 -3.928094451e-05 -5.882413476e-05 5.98 -3.453788442e-06 -3.399662597e-05 -5.091043479e-05 6.00 -2.971778425e-06 -2.944066207e-05 -4.408755144e-05