# 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 = AgZr3 # 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 4.510518446e+02 nan nan 1.16 4.171659012e+02 nan nan 1.18 3.859448668e+02 nan nan 1.20 3.571575815e+02 nan nan 1.22 3.305947978e+02 nan nan 1.24 3.060675276e+02 nan nan 1.26 2.834054087e+02 nan nan 1.28 2.624541900e+02 3.948142281e+02 4.485507169e+02 1.30 2.430734466e+02 3.676142482e+02 4.182951819e+02 1.32 2.251354515e+02 3.423546247e+02 3.901702387e+02 1.34 2.085244543e+02 3.188835218e+02 3.640123683e+02 1.36 1.931356071e+02 2.970625070e+02 3.396715295e+02 1.38 1.788732313e+02 2.767661068e+02 3.170097993e+02 1.40 1.656496735e+02 2.578805221e+02 2.959005892e+02 1.42 1.533847709e+02 2.403012472e+02 2.762281532e+02 1.44 1.420053478e+02 2.239309777e+02 2.578867418e+02 1.46 1.314442924e+02 2.086790844e+02 2.407793833e+02 1.48 1.216398423e+02 1.944622523e+02 2.248165953e+02 1.50 1.125350733e+02 1.812047557e+02 2.099157152e+02 1.52 1.040772808e+02 1.688377427e+02 1.960005044e+02 1.54 9.621773892e+01 1.572979660e+02 1.830005706e+02 1.56 8.891168457e+01 1.465269174e+02 1.708510335e+02 1.58 8.211826519e+01 1.364706357e+02 1.594922683e+02 1.60 7.580017010e+01 1.270796005e+02 1.488695106e+02 1.62 6.992308208e+01 1.183082149e+02 1.389322965e+02 1.64 6.445545035e+01 1.101140945e+02 1.296338487e+02 1.66 5.936848172e+01 1.024575045e+02 1.209308166e+02 1.68 5.463593008e+01 9.530114104e+01 1.127833437e+02 1.70 5.023356921e+01 8.861028327e+01 1.051549263e+02 1.72 4.613856316e+01 8.235287402e+01 9.801196230e+01 1.74 4.232916571e+01 7.649946713e+01 9.132301985e+01 1.76 3.878477026e+01 7.102299023e+01 8.505835851e+01 1.78 3.548615890e+01 6.589848972e+01 7.918979631e+01 1.80 3.241566744e+01 6.110282809e+01 7.369096778e+01 1.82 2.955708367e+01 5.661442900e+01 6.853745206e+01 1.84 2.689540973e+01 5.241295807e+01 6.370675559e+01 1.86 2.441762087e+01 4.847929895e+01 5.917801441e+01 1.88 2.211151645e+01 4.479564420e+01 5.493176309e+01 1.90 1.996503197e+01 4.134564295e+01 5.094981493e+01 1.92 1.796800108e+01 3.811438742e+01 4.721514080e+01 1.94 1.611049942e+01 3.508824877e+01 4.371188831e+01 1.96 1.438331304e+01 3.225460545e+01 4.042532482e+01 1.98 1.277802574e+01 2.960167145e+01 3.734176991e+01 2.00 1.128685014e+01 2.711840669e+01 3.444849119e+01 2.02 9.902458701e+00 2.479483928e+01 3.173359163e+01 2.04 8.617903510e+00 2.262224122e+01 2.918596175e+01 2.06 7.426559905e+00 2.059139336e+01 2.679523295e+01 2.08 6.322140233e+00 1.869375293e+01 2.455218516e+01 2.10 5.298746113e+00 1.692146855e+01 2.244880634e+01 2.12 4.350913045e+00 1.526633328e+01 2.047665401e+01 2.14 3.473617868e+00 1.372056514e+01 1.862831310e+01 2.16 2.662220434e+00 1.227690893e+01 1.689694140e+01 2.18 1.912418428e+00 1.092866205e+01 1.527567805e+01 2.20 1.220161791e+00 9.669663062e+00 1.375814375e+01 2.22 5.816068970e-01 8.494205608e+00 1.233840704e+01 2.24 -6.913641369e-03 7.396971938e+00 1.101085205e+01 2.26 -5.488931301e-01 6.373004190e+00 9.770136577e+00 2.28 -1.047649886e+00 5.417690434e+00 8.611154055e+00 2.30 -1.506311187e+00 4.526814681e+00 7.529051584e+00 2.32 -1.927813185e+00 3.696503186e+00 6.519199861e+00 2.34 -2.314899819e+00 2.923234751e+00 5.577170924e+00 2.36 -2.670102525e+00 2.203750639e+00 4.698705875e+00 2.38 -2.995725537e+00 1.534997670e+00 3.879675746e+00 2.40 -3.293845820e+00 9.140701944e-01 3.116113570e+00 2.42 -3.566322008e+00 3.381547160e-01 2.404241736e+00 2.44 -3.814821326e+00 -1.954895091e-01 1.740541928e+00 2.46 -4.040854171e+00 -6.895511833e-01 1.121806582e+00 2.48 -4.245807155e+00 -1.146654981e+00 5.451542346e-01 2.50 -4.430969005e+00 -1.569335289e+00 7.984554220e-03 2.52 -4.597548327e+00 -1.960002191e+00 -4.920519693e-01 2.54 -4.746680853e+00 -2.320909416e+00 -9.571272372e-01 2.56 -4.879456205e+00 -2.654131773e+00 -1.389272746e+00 2.58 -4.996893485e+00 -2.961556897e+00 -1.790403503e+00 2.60 -5.099972118e+00 -3.244892785e+00 -2.162326177e+00 2.62 -5.189625939e+00 -3.505683583e+00 -2.506732627e+00 2.64 -5.266761540e+00 -3.745354488e+00 -2.825215906e+00 2.66 -5.332412070e+00 -3.965206419e+00 -3.119236126e+00 2.68 -5.387374769e+00 -4.166458439e+00 -3.390150749e+00 2.70 -5.432305508e+00 -4.350256282e+00 -3.639221794e+00 2.72 -5.467883131e+00 -4.517681960e+00 -3.867635500e+00 2.74 -5.494798833e+00 -4.669758909e+00 -4.076524884e+00 2.76 -5.513743835e+00 -4.807453186e+00 -4.266992183e+00 2.78 -5.525394660e+00 -4.931668238e+00 -4.440127122e+00 2.80 -5.530410434e+00 -5.043257900e+00 -4.597022911e+00 2.82 -5.529348381e+00 -5.143000688e+00 -4.738772346e+00 2.84 -5.522408201e+00 -5.231619821e+00 -4.866462053e+00 2.86 -5.509712502e+00 -5.309783448e+00 -4.981150559e+00 2.88 -5.491442307e+00 -5.378183867e+00 -5.083842168e+00 2.90 -5.467795282e+00 -5.437422386e+00 -5.175463005e+00 2.92 -5.438988528e+00 -5.487995613e+00 -5.256845763e+00 2.94 -5.405254265e+00 -5.530337981e+00 -5.328726004e+00 2.96 -5.366820700e+00 -5.564850914e+00 -5.391743127e+00 2.98 -5.323920598e+00 -5.591940817e+00 -5.446625325e+00 3.00 -5.276788111e+00 -5.612016087e+00 -5.493824395e+00 3.02 -5.225659147e+00 -5.625483827e+00 -5.533672134e+00 3.04 -5.170771977e+00 -5.632742070e+00 -5.566497471e+00 3.06 -5.112367977e+00 -5.634158141e+00 -5.592632010e+00 3.08 -5.050692458e+00 -5.629903508e+00 -5.612414332e+00 3.10 -4.985995422e+00 -5.620122030e+00 -5.626193007e+00 3.12 -4.918531766e+00 -5.604909994e+00 -5.634327981e+00 3.14 -4.848560186e+00 -5.584387101e+00 -5.637189687e+00 3.16 -4.776340095e+00 -5.558695991e+00 -5.635110274e+00 3.18 -4.702126327e+00 -5.528019361e+00 -5.628193340e+00 3.20 -4.626213849e+00 -5.492569555e+00 -5.616510004e+00 3.22 -4.548851957e+00 -5.452586156e+00 -5.600181216e+00 3.24 -4.470173862e+00 -5.408335511e+00 -5.579349959e+00 3.26 -4.390304113e+00 -5.360111492e+00 -5.554176637e+00 3.28 -4.309362839e+00 -5.308235693e+00 -5.524827880e+00 3.30 -4.227473747e+00 -5.253054618e+00 -5.491471548e+00 3.32 -4.144774375e+00 -5.194931934e+00 -5.454274708e+00 3.34 -4.061421733e+00 -5.134235578e+00 -5.413403388e+00 3.36 -3.977613429e+00 -5.071321748e+00 -5.369023034e+00 3.38 -3.893562109e+00 -5.006519360e+00 -5.321298987e+00 3.40 -3.809508990e+00 -4.940116691e+00 -5.270396663e+00 3.42 -3.725699747e+00 -4.872364186e+00 -5.216481456e+00 3.44 -3.642376046e+00 -4.803462794e+00 -5.159718574e+00 3.46 -3.559745029e+00 -4.733580444e+00 -5.100273099e+00 3.48 -3.477981426e+00 -4.662919425e+00 -5.038310625e+00 3.50 -3.397216843e+00 -4.591580925e+00 -4.973990931e+00 3.52 -3.317561085e+00 -4.519610342e+00 -4.907503577e+00 3.54 -3.239077808e+00 -4.447054455e+00 -4.839019237e+00 3.56 -3.161812788e+00 -4.373962306e+00 -4.768731601e+00 3.58 -3.085794579e+00 -4.300384970e+00 -4.696914360e+00 3.60 -3.011039629e+00 -4.226374654e+00 -4.623795353e+00 3.62 -2.937556050e+00 -4.151983558e+00 -4.549563864e+00 3.64 -2.865346303e+00 -4.077262861e+00 -4.474438038e+00 3.66 -2.794409091e+00 -4.002262127e+00 -4.398656631e+00 3.68 -2.724740679e+00 -3.927030585e+00 -4.322466740e+00 3.70 -2.656335775e+00 -3.851619869e+00 -4.246109038e+00 3.72 -2.589188063e+00 -3.776082198e+00 -4.169803033e+00 3.74 -2.523290461e+00 -3.700472392e+00 -4.093735101e+00 3.76 -2.458635206e+00 -3.624851167e+00 -4.018051519e+00 3.78 -2.395213851e+00 -3.549288744e+00 -3.942859629e+00 3.80 -2.333017239e+00 -3.473868206e+00 -3.868230618e+00 3.82 -2.272035529e+00 -3.398687893e+00 -3.794203568e+00 3.84 -2.212258271e+00 -3.323862035e+00 -3.720794333e+00 3.86 -2.153674558e+00 -3.249519003e+00 -3.648004481e+00 3.88 -2.096273206e+00 -3.175796909e+00 -3.575829014e+00 3.90 -2.040042942e+00 -3.102836896e+00 -3.504262252e+00 3.92 -1.984968692e+00 -3.030771057e+00 -3.433295571e+00 3.94 -1.931047909e+00 -2.959730944e+00 -3.362945624e+00 3.96 -1.878264902e+00 -2.889814517e+00 -3.293214008e+00 3.98 -1.826608879e+00 -2.821100394e+00 -3.224115985e+00 4.00 -1.776068942e+00 -2.753641561e+00 -3.155671867e+00 4.02 -1.726633868e+00 -2.687466768e+00 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-1.697827439e+00 -2.007941542e+00 4.40 -9.765106990e-01 -1.653133996e+00 -1.956409322e+00 4.42 -9.458381493e-01 -1.609486304e+00 -1.905829712e+00 4.44 -9.159803491e-01 -1.566875977e+00 -1.856224790e+00 4.46 -8.869395233e-01 -1.525291700e+00 -1.807619350e+00 4.48 -8.587183488e-01 -1.484719213e+00 -1.760039224e+00 4.50 -8.313188562e-01 -1.445141470e+00 -1.713509156e+00 4.52 -8.047413059e-01 -1.406538918e+00 -1.668034860e+00 4.54 -7.789831542e-01 -1.368889863e+00 -1.623665915e+00 4.56 -7.540382082e-01 -1.332170871e+00 -1.580391673e+00 4.58 -7.298960556e-01 -1.296357177e+00 -1.538211750e+00 4.60 -7.065418043e-01 -1.261423078e+00 -1.497116710e+00 4.62 -6.839561329e-01 -1.227342299e+00 -1.457088452e+00 4.64 -6.621156130e-01 -1.194088320e+00 -1.418101238e+00 4.66 -6.409932382e-01 -1.161634681e+00 -1.380123173e+00 4.68 -6.205590831e-01 -1.129955256e+00 -1.343117924e+00 4.70 -6.007810170e-01 -1.099024513e+00 -1.307046487e+00 4.72 -5.816254075e-01 -1.068817758e+00 -1.271868855e+00 4.74 -5.630577681e-01 -1.039311362e+00 -1.237545479e+00 4.76 -5.450433217e-01 -1.010482989e+00 -1.204038495e+00 4.78 -5.275474706e-01 -9.823117925e-01 -1.171312698e+00 4.80 -5.105361772e-01 -9.547698384e-01 -1.139336264e+00 4.82 -4.939762728e-01 -9.278587823e-01 -1.108081266e+00 4.84 -4.778357157e-01 -9.015527313e-01 -1.077523986e+00 4.86 -4.620838258e-01 -8.758383294e-01 -1.047645061e+00 4.88 -4.466915236e-01 -8.507042146e-01 -1.018429462e+00 4.90 -4.316315977e-01 -8.261409469e-01 -9.898663340e-01 4.92 -4.168790231e-01 -8.021408530e-01 -9.619486830e-01 4.94 -4.024113435e-01 -7.786977843e-01 -9.346729290e-01 4.96 -3.882091224e-01 -7.558067884e-01 -9.080383313e-01 4.98 -3.742564541e-01 -7.334637040e-01 -8.820463016e-01 5.00 -3.605415103e-01 -7.116646968e-01 -8.566996363e-01 5.02 -3.470570807e-01 -6.904057633e-01 -8.320017026e-01 5.04 -3.338010480e-01 -6.696822364e-01 -8.079556294e-01 5.06 -3.207767217e-01 -6.494883294e-01 -7.845635497e-01 5.08 -3.079929513e-01 -6.298167555e-01 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-3.495036413e-01 -4.523588874e-01 5.46 -1.324301694e-01 -3.373025938e-01 -4.396535969e-01 5.48 -1.267310101e-01 -3.254505271e-01 -4.273075584e-01 5.50 -1.212586894e-01 -3.139574101e-01 -4.153066172e-01 5.52 -1.159941167e-01 -3.028327996e-01 -4.036371896e-01 5.54 -1.109212171e-01 -2.920848875e-01 -3.922814902e-01 5.56 -1.060270823e-01 -2.817196461e-01 -3.812370309e-01 5.58 -1.013019623e-01 -2.717401452e-01 -3.704860625e-01 5.60 -9.673910758e-02 -2.621460914e-01 -3.600167048e-01 5.62 -9.233447232e-02 -2.529336122e-01 -3.498173465e-01 5.64 -8.808629634e-02 -2.440952803e-01 -3.398765879e-01 5.66 -8.399458970e-02 -2.356203471e-01 -3.301831869e-01 5.68 -8.006055206e-02 -2.274951376e-01 -3.207260085e-01 5.70 -7.628596579e-02 -2.197035516e-01 -3.114939767e-01 5.72 -7.267260535e-02 -2.122276137e-01 -3.024760308e-01 5.74 -6.922170447e-02 -2.050480253e-01 -2.936610861e-01 5.76 -6.593351697e-02 -1.981446782e-01 -2.850379993e-01 5.78 -6.280699681e-02 -1.914971072e-01 -2.765955399e-01 5.80 -5.983960884e-02 -1.850848660e-01 -2.683223687e-01 5.82 -5.702726900e-02 -1.788878253e-01 -2.602070247e-01 5.84 -5.436440320e-02 -1.728863961e-01 -2.522379223e-01 5.86 -5.184409962e-02 -1.670616890e-01 -2.444033603e-01 5.88 -4.945832803e-02 -1.613956214e-01 -2.366915471e-01 5.90 -4.719800889e-02 -1.558709868e-01 -2.290906416e-01 5.92 -4.505367504e-02 -1.504714994e-01 -2.215888172e-01 5.94 -4.301569653e-02 -1.451818265e-01 -2.141743485e-01 5.96 -4.107430938e-02 -1.399876201e-01 -2.068357263e-01 5.98 -3.921986130e-02 -1.348755564e-01 -1.995618036e-01 6.00 -3.744301844e-02 -1.298333923e-01 -1.923419755e-01