# 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 # implementation = 2004--Zhou-X-W--Cu-Ag-Au--LAMMPS--ipr1 # composition = AgAu3 # 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 6.878838670e+02 nan nan 1.02 6.318043265e+02 nan nan 1.04 5.806297728e+02 nan nan 1.06 5.338837408e+02 nan nan 1.08 4.911421155e+02 nan nan 1.10 4.520273988e+02 6.622450359e+02 nan 1.12 4.162021425e+02 6.125848183e+02 6.919608230e+02 1.14 3.833625449e+02 5.669124940e+02 6.412873475e+02 1.16 3.532345308e+02 5.248752675e+02 5.945997911e+02 1.18 3.255698944e+02 4.861544915e+02 5.515494799e+02 1.20 3.001457352e+02 4.504602910e+02 5.118219190e+02 1.22 2.767624342e+02 4.175302204e+02 4.751327172e+02 1.24 2.552418850e+02 3.871270026e+02 4.412241081e+02 1.26 2.354237390e+02 3.590362183e+02 4.098628151e+02 1.28 2.171633481e+02 3.330635188e+02 3.808375464e+02 1.30 2.003291600e+02 3.090331756e+02 3.539565579e+02 1.32 1.848010801e+02 2.867863908e+02 3.290454037e+02 1.34 1.704695268e+02 2.661797990e+02 3.059450337e+02 1.36 1.572356692e+02 2.470825366e+02 2.845103950e+02 1.38 1.450105946e+02 2.293748734e+02 2.646101463e+02 1.40 1.337136972e+02 2.129468140e+02 2.461260213e+02 1.42 1.232710209e+02 1.976978798e+02 2.289510257e+02 1.44 1.136143310e+02 1.835370652e+02 2.129872682e+02 1.46 1.046806608e+02 1.703820810e+02 1.981440295e+02 1.48 9.641217714e+01 1.581586323e+02 1.843374115e+02 1.50 8.875560970e+01 1.467983883e+02 1.714894313e+02 1.52 8.166197081e+01 1.362376822e+02 1.595279980e+02 1.54 7.508619357e+01 1.264170609e+02 1.483868957e+02 1.56 6.898707543e+01 1.172808098e+02 1.380051068e+02 1.58 6.332718079e+01 1.087771544e+02 1.283267637e+02 1.60 5.807290753e+01 1.008583555e+02 1.193007214e+02 1.62 5.319397183e+01 9.348036927e+01 1.108798464e+02 1.64 4.866307302e+01 8.660322969e+01 1.030210935e+02 1.66 4.445517701e+01 8.019051225e+01 9.568483637e+01 1.68 4.054702862e+01 7.420903565e+01 8.883468636e+01 1.70 3.691674319e+01 6.862839752e+01 8.243716584e+01 1.72 3.354367512e+01 6.342046240e+01 7.646104807e+01 1.74 3.040858524e+01 5.855911627e+01 7.087718088e+01 1.76 2.749359699e+01 5.402011323e+01 6.565825321e+01 1.78 2.478231469e+01 4.978094098e+01 6.077865478e+01 1.80 2.225988236e+01 4.582075356e+01 5.621465397e+01 1.82 1.992839594e+01 4.212007587e+01 5.194427332e+01 1.84 1.778453936e+01 3.866074236e+01 4.794729663e+01 1.86 1.581497035e+01 3.542587820e+01 4.420529129e+01 1.88 1.400629907e+01 3.239989190e+01 4.070146068e+01 1.90 1.234592376e+01 2.956852769e+01 3.742047397e+01 1.92 1.082216893e+01 2.691882336e+01 3.434812238e+01 1.94 9.424315206e+00 2.443902636e+01 3.147107207e+01 1.96 8.142538697e+00 2.211853266e+01 2.877658794e+01 1.98 6.967878370e+00 1.995871020e+01 2.625257002e+01 2.00 5.892151088e+00 1.796022290e+01 2.388752865e+01 2.02 4.907896949e+00 1.611325210e+01 2.167082830e+01 2.04 4.008288311e+00 1.440732541e+01 1.960516896e+01 2.06 3.187076754e+00 1.283223221e+01 1.768829045e+01 2.08 2.438507446e+00 1.137833158e+01 1.591058342e+01 2.10 1.757257266e+00 1.003662565e+01 1.426248998e+01 2.12 1.138368755e+00 8.798786453e+00 1.273506644e+01 2.14 5.771853870e-01 7.657138202e+00 1.132009868e+01 2.16 6.929976081e-02 6.604619570e+00 1.001002453e+01 2.18 -3.894476407e-01 5.634731068e+00 8.797883148e+00 2.20 -8.029964036e-01 4.741514832e+00 7.677273859e+00 2.22 -1.175044102e+00 3.919430539e+00 6.642183810e+00 2.24 -1.509023628e+00 3.163418955e+00 5.687036503e+00 2.26 -1.808110660e+00 2.468771469e+00 4.806469404e+00 2.28 -2.075200933e+00 1.831187237e+00 3.995438562e+00 2.30 -2.312941508e+00 1.246675989e+00 3.249080505e+00 2.32 -2.523730330e+00 7.115858967e-01 2.562839906e+00 2.34 -2.709748358e+00 2.225143515e-01 1.932379383e+00 2.36 -2.872975042e+00 -2.236732098e-01 1.353688158e+00 2.38 -3.015216443e+00 -6.299008588e-01 8.230348696e-01 2.40 -3.138127173e+00 -9.988934355e-01 3.369746808e-01 2.42 -3.243224991e+00 -1.333202107e+00 -1.076638040e-01 2.44 -3.331920761e+00 -1.635228916e+00 -5.138264637e-01 2.46 -3.405521620e+00 -1.907225615e+00 -8.842321115e-01 2.48 -3.465305375e+00 -2.151323626e+00 -1.221424236e+00 2.50 -3.512649462e+00 -2.369537281e+00 -1.527781679e+00 2.52 -3.548347626e+00 -2.563771416e+00 -1.805523687e+00 2.54 -3.573116373e+00 -2.735847593e+00 -2.056736668e+00 2.56 -3.587674484e+00 -2.887493372e+00 -2.283350486e+00 2.58 -3.592733531e+00 -3.020364480e+00 -2.487154697e+00 2.60 -3.589000669e+00 -3.136050503e+00 -2.669791416e+00 2.62 -3.577183644e+00 -3.236056330e+00 -2.832756634e+00 2.64 -3.557980944e+00 -3.321807951e+00 -2.977425133e+00 2.66 -3.532089392e+00 -3.394618280e+00 -3.105042538e+00 2.68 -3.500330990e+00 -3.455684144e+00 -3.216756844e+00 2.70 -3.463385804e+00 -3.506185622e+00 -3.313617544e+00 2.72 -3.421824611e+00 -3.547125605e+00 -3.396602427e+00 2.74 -3.376215258e+00 -3.579124089e+00 -3.466622520e+00 2.76 -3.327099446e+00 -3.602687430e+00 -3.524540867e+00 2.78 -3.274981085e+00 -3.618300070e+00 -3.571250573e+00 2.80 -3.220318002e+00 -3.626426101e+00 -3.607750686e+00 2.82 -3.163522727e+00 -3.627517433e+00 -3.634625056e+00 2.84 -3.104970929e+00 -3.622009075e+00 -3.652470095e+00 2.86 -3.045002999e+00 -3.610317865e+00 -3.661942783e+00 2.88 -2.983909205e+00 -3.592835184e+00 -3.663750312e+00 2.90 -2.921947259e+00 -3.569954162e+00 -3.658625641e+00 2.92 -2.859349481e+00 -3.542141347e+00 -3.647312544e+00 2.94 -2.796316043e+00 -3.509693196e+00 -3.630514398e+00 2.96 -2.733027368e+00 -3.472896632e+00 -3.608862607e+00 2.98 -2.669641748e+00 -3.432066938e+00 -3.582941191e+00 3.00 -2.606300568e+00 -3.387551810e+00 -3.553313841e+00 3.02 -2.543128592e+00 -3.339728807e+00 -3.520302014e+00 3.04 -2.480234855e+00 -3.289000257e+00 -3.484168258e+00 3.06 -2.417717963e+00 -3.235787078e+00 -3.445147602e+00 3.08 -2.355664742e+00 -3.180517364e+00 -3.403456079e+00 3.10 -2.294153666e+00 -3.123608600e+00 -3.359295968e+00 3.12 -2.233255350e+00 -3.065447989e+00 -3.312861406e+00 3.14 -2.173034892e+00 -3.006376288e+00 -3.264341958e+00 3.16 -2.113551613e+00 -2.946682701e+00 -3.213926841e+00 3.18 -2.054860055e+00 -2.886602732e+00 -3.161806422e+00 3.20 -1.997010000e+00 -2.826322401e+00 -3.108164907e+00 3.22 -1.940048719e+00 -2.765986337e+00 -3.053180230e+00 3.24 -1.884014944e+00 -2.705704978e+00 -2.997021226e+00 3.26 -1.828950585e+00 -2.645570081e+00 -2.939854792e+00 3.28 -1.774885386e+00 -2.585653275e+00 -2.881834079e+00 3.30 -1.721845875e+00 -2.526015983e+00 -2.823102841e+00 3.32 -1.669853986e+00 -2.466715232e+00 -2.763798744e+00 3.34 -1.618925840e+00 -2.407807151e+00 -2.704053851e+00 3.36 -1.569069478e+00 -2.349344762e+00 -2.643989977e+00 3.38 -1.520293570e+00 -2.291376353e+00 -2.583730264e+00 3.40 -1.472596648e+00 -2.233970953e+00 -2.523389986e+00 3.42 -1.425977239e+00 -2.177175954e+00 -2.463089147e+00 3.44 -1.380431323e+00 -2.121043945e+00 -2.402945474e+00 3.46 -1.335947194e+00 -2.065629260e+00 -2.343084604e+00 3.48 -1.292526533e+00 -2.010981430e+00 -2.283632625e+00 3.50 -1.250155738e+00 -1.957147413e+00 -2.224719437e+00 3.52 -1.208826255e+00 -1.904172254e+00 -2.166476890e+00 3.54 -1.168528465e+00 -1.852092134e+00 -2.109030263e+00 3.56 -1.129252660e+00 -1.800942979e+00 -2.052500662e+00 3.58 -1.090987099e+00 -1.750751329e+00 -1.996991832e+00 3.60 -1.053717550e+00 -1.701540588e+00 -1.942593172e+00 3.62 -1.017434343e+00 -1.653327181e+00 -1.889370565e+00 3.64 -9.821174495e-01 -1.606121865e+00 -1.837368762e+00 3.66 -9.477482619e-01 -1.559929969e+00 -1.786610468e+00 3.68 -9.143033423e-01 -1.514751687e+00 -1.737098837e+00 3.70 -8.817589335e-01 -1.470581856e+00 -1.688819626e+00 3.72 -8.500866235e-01 -1.427411814e+00 -1.641747259e+00 3.74 -8.192549961e-01 -1.385227336e+00 -1.595837007e+00 3.76 -7.892332920e-01 -1.344012350e+00 -1.551065724e+00 3.78 -7.599856701e-01 -1.303746140e+00 -1.507378984e+00 3.80 -7.314765524e-01 -1.264408421e+00 -1.464733499e+00 3.82 -7.036701382e-01 -1.225973716e+00 -1.423084187e+00 3.84 -6.765317055e-01 -1.188420248e+00 -1.382394357e+00 3.86 -6.500265576e-01 -1.151720551e+00 -1.342624521e+00 3.88 -6.241249992e-01 -1.115852326e+00 -1.303746022e+00 3.90 -5.988001798e-01 -1.080789959e+00 -1.265730522e+00 3.92 -5.740325714e-01 -1.046511494e+00 -1.228557334e+00 3.94 -5.498080240e-01 -1.012993280e+00 -1.192208685e+00 3.96 -5.261217435e-01 -9.802092748e-01 -1.156671332e+00 3.98 -5.029775328e-01 -9.481483325e-01 -1.121935008e+00 4.00 -4.803873211e-01 -9.167847904e-01 -1.087993396e+00 4.02 -4.583715773e-01 -8.860983567e-01 -1.054840483e+00 4.04 -4.369565912e-01 -8.560698106e-01 -1.022472152e+00 4.06 -4.161736326e-01 -8.266815085e-01 -9.908869425e-01 4.08 -3.960538946e-01 -7.979142472e-01 -9.600781028e-01 4.10 -3.766266532e-01 -7.697528349e-01 -9.300433723e-01 4.12 -3.579152079e-01 -7.421830896e-01 -9.007784578e-01 4.14 -3.399336054e-01 -7.151933918e-01 -8.722757327e-01 4.16 -3.226861972e-01 -6.887759825e-01 -8.445279745e-01 4.18 -3.061652636e-01 -6.629273120e-01 -8.175259577e-01 4.20 -2.903520316e-01 -6.376500624e-01 -7.912597290e-01 4.22 -2.752171701e-01 -6.129501806e-01 -7.657161684e-01 4.24 -2.607249545e-01 -5.888422792e-01 -7.408820206e-01 4.26 -2.468341016e-01 -5.653452005e-01 -7.167432077e-01 4.28 -2.335018253e-01 -5.424817168e-01 -6.932825800e-01 4.30 -2.206865189e-01 -5.202792191e-01 -6.704831523e-01 4.32 -2.083501347e-01 -4.987656518e-01 -6.483263234e-01 4.34 -1.964611130e-01 -4.779682248e-01 -6.267930696e-01 4.36 -1.849944803e-01 -4.579102993e-01 -6.058622088e-01 4.38 -1.739344388e-01 -4.386099855e-01 -5.855133928e-01 4.40 -1.632730754e-01 -4.200780404e-01 -5.657250787e-01 4.42 -1.530109676e-01 -4.023151867e-01 -5.464729246e-01 4.44 -1.431550603e-01 -3.853136287e-01 -5.277339606e-01 4.46 -1.337175813e-01 -3.690564283e-01 -5.094848892e-01 4.48 -1.247131297e-01 -3.535165062e-01 -4.916994504e-01 4.50 -1.161570057e-01 -3.386608223e-01 -4.743529216e-01 4.52 -1.080628443e-01 -3.244497578e-01 -4.574188662e-01 4.54 -1.004400153e-01 -3.108396521e-01 -4.408706310e-01 4.56 -9.329297802e-02 -2.977832468e-01 -4.246803566e-01 4.58 -8.661944921e-02 -2.852328738e-01 -4.088186215e-01 4.60 -8.041074502e-02 -2.731403170e-01 -3.932627906e-01 4.62 -7.465172403e-02 -2.614591014e-01 -3.779829286e-01 4.64 -6.932133200e-02 -2.501431389e-01 -3.629506082e-01 4.66 -6.439428976e-02 -2.391499787e-01 -3.481396051e-01 4.68 -5.984166943e-02 -2.284400984e-01 -3.335246044e-01 4.70 -5.563273769e-02 -2.179771253e-01 -3.190816327e-01 4.72 -5.173571280e-02 -2.077285682e-01 -3.047892872e-01 4.74 -4.811929008e-02 -1.976668170e-01 -2.906297392e-01 4.76 -4.475355723e-02 -1.877683054e-01 -2.765883536e-01 4.78 -4.161073083e-02 -1.780146044e-01 -2.626554897e-01 4.80 -3.866553928e-02 -1.683931255e-01 -2.488275459e-01 4.82 -3.589558665e-02 -1.588972356e-01 -2.351075257e-01 4.84 -3.328155419e-02 -1.495260057e-01 -2.215052207e-01 4.86 -3.080736571e-02 -1.402852819e-01 -2.080388425e-01 4.88 -2.846029576e-02 -1.311876187e-01 -1.947352541e-01 4.90 -2.623032555e-02 -1.222506429e-01 -1.816276943e-01 4.92 -2.411042236e-02 -1.134982147e-01 -1.687575872e-01 4.94 -2.209592834e-02 -1.049589095e-01 -1.561725943e-01 4.96 -2.018418423e-02 -9.666464904e-02 -1.439248698e-01 4.98 -1.837401184e-02 -8.864907135e-02 -1.320685039e-01 5.00 -1.666516854e-02 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