# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Starikov-S-Gordeev-I-Lysogorskiy-Y-et-al--Si-Au-Al # implementation = 2020--Starikov-S--Si-Au-Al--LAMMPS--ipr1 # composition = AuSi3 # 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 3.191478910e+02 nan nan 0.98 2.895054664e+02 nan nan 1.00 2.630263007e+02 nan nan 1.02 2.392864221e+02 nan nan 1.04 2.179916350e+02 nan nan 1.06 1.988930917e+02 2.983746024e+02 nan 1.08 1.818372820e+02 2.726025409e+02 3.127404602e+02 1.10 1.665922428e+02 2.495737558e+02 2.864236909e+02 1.12 1.529895663e+02 2.287423044e+02 2.626061384e+02 1.14 1.408646561e+02 2.101565060e+02 2.410873140e+02 1.16 1.300603405e+02 1.933334259e+02 2.216622773e+02 1.18 1.204724965e+02 1.780527890e+02 2.041167702e+02 1.20 1.119950935e+02 1.642201464e+02 1.882803282e+02 1.22 1.045122210e+02 1.517577160e+02 1.740363068e+02 1.24 9.788099985e+01 1.405599134e+02 1.612565442e+02 1.26 9.201292603e+01 1.305645257e+02 1.498077764e+02 1.28 8.682486209e+01 1.216584711e+02 1.394585807e+02 1.30 8.227566318e+01 1.137317185e+02 1.302169640e+02 1.32 7.829594966e+01 1.066560837e+02 1.218613961e+02 1.34 7.479352068e+01 1.003580168e+02 1.143020347e+02 1.36 7.170053023e+01 9.475749487e+01 1.074617105e+02 1.38 6.894933174e+01 8.976620107e+01 1.012833563e+02 1.40 6.648872103e+01 8.530522222e+01 9.568586193e+01 1.42 6.429679400e+01 8.132652510e+01 9.060662279e+01 1.44 6.234992130e+01 7.777270349e+01 8.602405493e+01 1.46 6.062232942e+01 7.457523707e+01 8.192280238e+01 1.48 5.901796158e+01 7.166346944e+01 7.827148850e+01 1.50 5.758307196e+01 6.899892771e+01 7.503359951e+01 1.52 5.624912052e+01 6.658587086e+01 7.214889534e+01 1.54 5.500681408e+01 6.443854748e+01 6.957774669e+01 1.56 5.384762794e+01 6.252845989e+01 6.726623010e+01 1.58 5.276879820e+01 6.082587176e+01 6.516984312e+01 1.60 5.177692562e+01 5.933080312e+01 6.326408292e+01 1.62 5.078709147e+01 5.795409585e+01 6.154134827e+01 1.64 4.991980872e+01 5.666352128e+01 6.000134229e+01 1.66 4.908167538e+01 5.544409992e+01 5.863073033e+01 1.68 4.827145756e+01 5.429194757e+01 5.740205708e+01 1.70 4.750057877e+01 5.320819209e+01 5.629274615e+01 1.72 4.679054566e+01 5.220466073e+01 5.528662499e+01 1.74 4.615984219e+01 5.128768159e+01 5.438554779e+01 1.76 4.560045577e+01 5.045316361e+01 5.358965719e+01 1.78 4.509935035e+01 4.969157768e+01 5.288922748e+01 1.80 4.464043949e+01 4.898597695e+01 5.226409017e+01 1.82 4.419820923e+01 4.824068892e+01 5.156197677e+01 1.84 4.378013283e+01 4.760955388e+01 5.097928898e+01 1.86 4.338118153e+01 4.700978243e+01 5.037904239e+01 1.88 4.301099596e+01 4.644074373e+01 4.975449633e+01 1.90 4.235108607e+01 4.590311008e+01 4.910881991e+01 1.92 3.800895191e+01 4.539587289e+01 4.844842182e+01 1.94 3.346165659e+01 4.491648313e+01 4.778691876e+01 1.96 2.913086925e+01 4.446164084e+01 4.713635291e+01 1.98 2.500511807e+01 4.403274912e+01 4.651178559e+01 2.00 2.118854934e+01 4.362933395e+01 4.592496571e+01 2.02 1.783195638e+01 4.325436562e+01 4.538167357e+01 2.04 1.492329937e+01 4.291327624e+01 4.487998883e+01 2.06 1.244906350e+01 4.212345107e+01 4.441370756e+01 2.08 1.037220080e+01 4.085926636e+01 4.398002377e+01 2.10 8.620371980e+00 3.781981184e+01 4.118804430e+01 2.12 7.113182612e+00 3.201663053e+01 3.866992476e+01 2.14 5.793501524e+00 2.639873667e+01 3.698724882e+01 2.16 4.627018465e+00 2.190431116e+01 3.406715833e+01 2.18 3.587070140e+00 1.853883597e+01 3.097381474e+01 2.20 2.662441989e+00 1.613031796e+01 2.825251514e+01 2.22 1.838552606e+00 1.442877515e+01 2.560278388e+01 2.24 1.114883599e+00 1.325900613e+01 2.286307947e+01 2.26 4.893686466e-01 1.242881241e+01 2.009821962e+01 2.28 -4.850069239e-02 1.172693391e+01 1.744058588e+01 2.30 -5.222677593e-01 1.097376546e+01 1.497487485e+01 2.32 -9.487404671e-01 1.007416907e+01 1.275446669e+01 2.34 -1.358028104e+00 9.003358819e+00 1.080625204e+01 2.36 -1.750772109e+00 7.767691166e+00 9.084132356e+00 2.38 -2.127552055e+00 6.449820729e+00 7.453595480e+00 2.40 -2.488254533e+00 5.157126372e+00 5.935210019e+00 2.42 -2.833343293e+00 3.941168826e+00 4.563933544e+00 2.44 -3.069900208e+00 2.813117265e+00 3.360287141e+00 2.46 -3.265176584e+00 1.802206255e+00 2.332917746e+00 2.48 -3.414314708e+00 9.104718447e-01 1.480337185e+00 2.50 -3.501013670e+00 1.162649692e-01 7.952713535e-01 2.52 -3.538426208e+00 -5.777795645e-01 2.661119065e-01 2.54 -3.570743550e+00 -1.179388033e+00 -1.415264370e-01 2.56 -3.604421639e+00 -1.702956004e+00 -4.710949407e-01 2.58 -3.633941888e+00 -2.162439516e+00 -7.546690833e-01 2.60 -3.646199252e+00 -2.569229679e+00 -1.015477171e+00 2.62 -3.636566662e+00 -2.885543892e+00 -1.272943783e+00 2.64 -3.609082753e+00 -3.125826453e+00 -1.543664810e+00 2.66 -3.567293291e+00 -3.335196279e+00 -1.838894473e+00 2.68 -3.520051097e+00 -3.520264137e+00 -2.155972036e+00 2.70 -3.475024846e+00 -3.630448229e+00 -2.445899625e+00 2.72 -3.432903776e+00 -3.680948862e+00 -2.694093084e+00 2.74 -3.382918528e+00 -3.723328214e+00 -2.925190959e+00 2.76 -3.320913146e+00 -3.758112447e+00 -3.124861065e+00 2.78 -3.256600560e+00 -3.788403462e+00 -3.295185723e+00 2.80 -3.199741105e+00 -3.814079185e+00 -3.451434999e+00 2.82 -3.155049211e+00 -3.830353383e+00 -3.602268644e+00 2.84 -3.121112201e+00 -3.834037124e+00 -3.630105543e+00 2.86 -3.073710901e+00 -3.824062484e+00 -3.654630019e+00 2.88 -2.986965088e+00 -3.799333939e+00 -3.671830218e+00 2.90 -2.849559189e+00 -3.759284849e+00 -3.681511946e+00 2.92 -2.662790699e+00 -3.708292261e+00 -3.685402992e+00 2.94 -2.437296653e+00 -3.653523368e+00 -3.684758468e+00 2.96 -2.195221590e+00 -3.601026751e+00 -3.680296443e+00 2.98 -1.973631854e+00 -3.550672447e+00 -3.672347688e+00 3.00 -1.798642127e+00 -3.499192948e+00 -3.660948941e+00 3.02 -1.666810809e+00 -3.443739020e+00 -3.645785929e+00 3.04 -1.555809158e+00 -3.385502155e+00 -3.626447852e+00 3.06 -1.451055933e+00 -3.329827223e+00 -3.602617192e+00 3.08 -1.358606448e+00 -3.279601747e+00 -3.573996648e+00 3.10 -1.285851285e+00 -3.234509802e+00 -3.541651045e+00 3.12 -1.226388989e+00 -3.192794291e+00 -3.507073488e+00 3.14 -1.254040262e+00 -3.150642068e+00 -3.467937610e+00 3.16 -1.351070284e+00 -3.105759366e+00 -3.418956614e+00 3.18 -1.265811874e+00 -3.058146729e+00 -3.354029074e+00 3.20 -1.019582810e+00 -3.005988195e+00 -3.275953553e+00 3.22 -7.929529364e-01 -2.937566949e+00 -3.198117245e+00 3.24 -6.985600792e-01 -2.839371062e+00 -3.131895563e+00 3.26 -7.296937887e-01 -2.690983740e+00 -3.083065051e+00 3.28 -7.679916740e-01 -2.468296988e+00 -3.037292155e+00 3.30 -8.033414619e-01 -2.164041095e+00 -2.966246331e+00 3.32 -8.380290773e-01 -1.808128599e+00 -2.848793233e+00 3.34 -8.710816615e-01 -1.518872866e+00 -2.667386814e+00 3.36 -9.030182058e-01 -1.296224521e+00 -2.407635433e+00 3.38 -9.351514272e-01 -1.202441978e+00 -2.065277914e+00 3.40 -9.682521895e-01 -1.146007318e+00 -1.666475240e+00 3.42 -1.002691081e+00 -1.086138016e+00 -1.237619335e+00 3.44 -1.038097115e+00 -1.023721241e+00 -1.005928112e+00 3.46 -1.071949771e+00 -9.598740940e-01 -8.750993656e-01 3.48 -1.102039094e+00 -8.963965851e-01 -7.364766057e-01 3.50 -1.128855051e+00 -8.372031071e-01 -6.009034075e-01 3.52 -1.152496307e+00 -7.878248636e-01 -4.798958507e-01 3.54 -1.173374752e+00 -7.531578327e-01 -4.013590808e-01 3.56 -1.191616539e+00 -7.356378852e-01 -4.740311886e-01 3.58 -1.207227382e+00 -7.348100129e-01 -5.532543124e-01 3.60 -1.220898198e+00 -7.494380402e-01 -5.214580435e-01 3.62 -1.233595482e+00 -7.777470002e-01 -4.468895466e-01 3.64 -1.245730895e+00 -8.175526871e-01 -4.084919618e-01 3.66 -1.257531684e+00 -8.661469787e-01 -4.476100590e-01 3.68 -1.269165086e+00 -9.203663119e-01 -5.187031641e-01 3.70 -1.280936240e+00 -9.769654708e-01 -5.955787015e-01 3.72 -1.292519857e+00 -1.032900307e+00 -6.752850576e-01 3.74 -1.303338110e+00 -1.085371356e+00 -7.542528101e-01 3.76 -1.312861854e+00 -1.132886710e+00 -8.292192680e-01 3.78 -1.320740568e+00 -1.174679473e+00 -8.974275686e-01 3.80 -1.326380718e+00 -1.211150219e+00 -9.568688717e-01 3.82 -1.329557621e+00 -1.241737227e+00 -1.006150124e+00 3.84 -1.329997248e+00 -1.266252110e+00 -1.044569681e+00 3.86 -1.327454421e+00 -1.285487307e+00 -1.073146757e+00 3.88 -1.322112873e+00 -1.300205520e+00 -1.093885896e+00 3.90 -1.314320784e+00 -1.311207466e+00 -1.108617913e+00 3.92 -1.304258109e+00 -1.319028742e+00 -1.118952173e+00 3.94 -1.292377371e+00 -1.324090371e+00 -1.126009681e+00 3.96 -1.278979456e+00 -1.326700013e+00 -1.131098321e+00 3.98 -1.264480705e+00 -1.327117782e+00 -1.135096190e+00 4.00 -1.249206489e+00 -1.325603292e+00 -1.138574690e+00 4.02 -1.233627900e+00 -1.322351173e+00 -1.141949032e+00 4.04 -1.218123971e+00 -1.317517484e+00 -1.145571730e+00 4.06 -1.203084279e+00 -1.311287115e+00 -1.149787588e+00 4.08 -1.188913551e+00 -1.303833066e+00 -1.154963684e+00 4.10 -1.176018565e+00 -1.295390284e+00 -1.161476212e+00 4.12 -1.164533011e+00 -1.286332746e+00 -1.169701884e+00 4.14 -1.154067237e+00 -1.277054244e+00 -1.179917713e+00 4.16 -1.144244613e+00 -1.267848851e+00 -1.191745574e+00 4.18 -1.134461823e+00 -1.258894957e+00 -1.204762567e+00 4.20 -1.124186365e+00 -1.250325234e+00 -1.218464252e+00 4.22 -1.112690720e+00 -1.242204779e+00 -1.232303477e+00 4.24 -1.099270807e+00 -1.234753885e+00 -1.246112031e+00 4.26 -1.083421863e+00 -1.228133859e+00 -1.259373479e+00 4.28 -1.064616375e+00 -1.222495127e+00 -1.271985594e+00 4.30 -1.042325795e+00 -1.217992724e+00 -1.283856412e+00 4.32 -1.016157534e+00 -1.214776478e+00 -1.294747400e+00 4.34 -9.857797887e-01 -1.212983247e+00 -1.304748056e+00 4.36 -9.511870948e-01 -1.212653679e+00 -1.313962183e+00 4.38 -9.129230100e-01 -1.213448453e+00 -1.322313220e+00 4.40 -8.717821500e-01 -1.214886100e+00 -1.329783197e+00 4.42 -8.288677123e-01 -1.216481163e+00 -1.335783576e+00 4.44 -7.855061077e-01 -1.217921662e+00 -1.340370109e+00 4.46 -7.434031551e-01 -1.218886289e+00 -1.343504601e+00 4.48 -7.040187146e-01 -1.219058860e+00 -1.345206440e+00 4.50 -6.687028134e-01 -1.218162030e+00 -1.345541322e+00 4.52 -6.382787258e-01 -1.215908530e+00 -1.344473641e+00 4.54 -6.126446588e-01 -1.211993273e+00 -1.341979653e+00 4.56 -5.919985672e-01 -1.206075939e+00 -1.338022659e+00 4.58 -5.764153624e-01 -1.197838514e+00 -1.332556061e+00 4.60 -5.657492795e-01 -1.186777655e+00 -1.325540210e+00 4.62 -5.590399584e-01 -1.172459032e+00 -1.316814677e+00 4.64 -5.550827979e-01 -1.154902911e+00 -1.306300064e+00 4.66 -5.525955278e-01 -1.133845391e+00 -1.293914843e+00 4.68 -5.502671960e-01 -1.109347029e+00 -1.279368129e+00 4.70 -5.467953423e-01 -1.081197935e+00 -1.262570854e+00 4.72 -5.408411166e-01 -1.049286677e+00 -1.243209362e+00 4.74 -5.311877173e-01 -1.013606596e+00 -1.221007531e+00 4.76 -5.163693786e-01 -9.744633679e-01 -1.196059542e+00 4.78 -4.960349643e-01 -9.323501431e-01 -1.168380534e+00 4.80 -4.702310379e-01 -8.880452126e-01 -1.137999095e+00 4.82 -4.394475371e-01 -8.425694472e-01 -1.105012938e+00 4.84 -4.041095047e-01 -7.974223719e-01 -1.069585108e+00 4.86 -3.652366317e-01 -7.538950796e-01 -1.031966323e+00 4.88 -3.241083748e-01 -7.131936817e-01 -9.925156036e-01 4.90 -2.819430842e-01 -6.757257208e-01 -9.517140721e-01 4.92 -2.393737513e-01 -6.420301624e-01 -9.101631713e-01 4.94 -2.086705996e-01 -6.121550597e-01 -8.686498999e-01 4.96 -2.158988712e-01 -5.864829596e-01 -8.282497203e-01 4.98 -2.649081596e-01 -5.650297334e-01 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