# 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 = FeMo3 # 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 3.285285420e+02 nan nan 1.16 3.004698047e+02 nan nan 1.18 2.748434848e+02 nan nan 1.20 2.514125491e+02 nan nan 1.22 2.299657987e+02 nan nan 1.24 2.103136466e+02 nan nan 1.26 1.922856420e+02 nan nan 1.28 1.757301520e+02 2.814574361e+02 3.261991873e+02 1.30 1.605148200e+02 2.593419741e+02 3.011832121e+02 1.32 1.465260811e+02 2.389764286e+02 2.780796318e+02 1.34 1.336667070e+02 2.201973871e+02 2.567175586e+02 1.36 1.218516851e+02 2.028536807e+02 2.369499484e+02 1.38 1.110037705e+02 1.868092349e+02 2.186516072e+02 1.40 1.010500161e+02 1.719456060e+02 2.017138115e+02 1.42 9.191984004e+01 1.581625289e+02 1.860385083e+02 1.44 8.354452829e+01 1.453760070e+02 1.715343562e+02 1.46 7.585777668e+01 1.335148246e+02 1.581149346e+02 1.48 6.879682639e+01 1.225168918e+02 1.456982415e+02 1.50 6.230377656e+01 1.123264303e+02 1.342066006e+02 1.52 5.632672368e+01 1.028922496e+02 1.235666590e+02 1.54 5.082046274e+01 9.416681742e+01 1.137095871e+02 1.56 4.574658306e+01 8.610568182e+01 1.045716131e+02 1.58 4.107291220e+01 7.866692555e+01 9.609473139e+01 1.60 3.677240090e+01 7.181054383e+01 8.822717085e+01 1.62 3.282166775e+01 6.549780346e+01 8.092326272e+01 1.64 2.919999016e+01 5.969072115e+01 7.414269311e+01 1.66 2.589472413e+01 5.435178746e+01 6.784943394e+01 1.68 2.288766105e+01 4.944398291e+01 6.201072265e+01 1.70 2.015771025e+01 4.493104232e+01 5.659633402e+01 1.72 1.768364525e+01 4.077787480e+01 5.157819899e+01 1.74 1.544433990e+01 3.695104956e+01 4.693027197e+01 1.76 1.341909597e+01 3.341928512e+01 4.262846866e+01 1.78 1.158788934e+01 3.015394792e+01 3.865051200e+01 1.80 9.931490792e+00 2.713528164e+01 3.497562244e+01 1.82 8.431524505e+00 2.434470100e+01 3.158410712e+01 1.84 7.070575435e+00 2.176226636e+01 2.845791758e+01 1.86 5.832416921e+00 1.937147536e+01 2.558510137e+01 1.88 4.702334485e+00 1.715880964e+01 2.294817734e+01 1.90 3.667441452e+00 1.511308898e+01 2.052857853e+01 1.92 2.716868661e+00 1.322470870e+01 1.830813612e+01 1.94 1.841761478e+00 1.148493459e+01 1.626908543e+01 1.96 1.035089449e+00 9.885375150e+00 1.439422436e+01 1.98 2.913265751e-01 8.417666519e+00 1.266716753e+01 2.00 -3.939212543e-01 7.073338733e+00 1.107268776e+01 2.02 -1.024273718e+00 5.843803686e+00 9.597090231e+00 2.04 -1.602873115e+00 4.720409668e+00 8.228525621e+00 2.06 -2.132601304e+00 3.694528559e+00 6.957148112e+00 2.08 -2.616217727e+00 2.757664146e+00 5.775068390e+00 2.10 -3.056432477e+00 1.901582821e+00 4.676117124e+00 2.12 -3.455933020e+00 1.118466270e+00 3.655485227e+00 2.14 -3.817382096e+00 4.010727443e-01 2.709324092e+00 2.16 -4.143400430e+00 -2.571208152e-01 1.834375247e+00 2.18 -4.436543356e+00 -8.618276361e-01 1.027671069e+00 2.20 -4.699276680e+00 -1.417931956e+00 2.863213547e-01 2.22 -4.933954293e+00 -1.929542529e+00 -3.926181521e-01 2.24 -5.142798354e+00 -2.400100257e+00 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-6.142627443e+00 -5.693058504e+00 2.62 -5.924216560e+00 -6.175226440e+00 -5.761932497e+00 2.64 -5.826334997e+00 -6.196306372e+00 -5.821238406e+00 2.66 -5.714283474e+00 -6.206680648e+00 -5.871981950e+00 2.68 -5.588505423e+00 -6.207102210e+00 -5.915005745e+00 2.70 -5.449636801e+00 -6.198247309e+00 -5.951020707e+00 2.72 -5.298529433e+00 -6.180386053e+00 -5.980628167e+00 2.74 -5.136275329e+00 -6.153444742e+00 -6.004334965e+00 2.76 -4.964223871e+00 -6.117327868e+00 -6.022563979e+00 2.78 -4.783974988e+00 -6.072034294e+00 -6.035535225e+00 2.80 -4.597213026e+00 -6.017650843e+00 -6.042978236e+00 2.82 -4.405676271e+00 -5.954346166e+00 -6.044571769e+00 2.84 -4.211213966e+00 -5.882367766e+00 -6.040046281e+00 2.86 -4.015690674e+00 -5.802042776e+00 -6.029168132e+00 2.88 -3.820881891e+00 -5.713778540e+00 -6.011727554e+00 2.90 -3.628380605e+00 -5.618050991e+00 -5.987529428e+00 2.92 -3.439527063e+00 -5.515411736e+00 -5.956386121e+00 2.94 -3.255369402e+00 -5.406480041e+00 -5.918112306e+00 2.96 -3.076657207e+00 -5.291927063e+00 -5.872523979e+00 2.98 -2.903864905e+00 -5.172453196e+00 -5.819427863e+00 3.00 -2.737238019e+00 -5.048703156e+00 -5.758627082e+00 3.02 -2.576853026e+00 -4.921073755e+00 -5.689926268e+00 3.04 -2.422680757e+00 -4.789903467e+00 -5.613137135e+00 3.06 -2.274643855e+00 -4.655512685e+00 -5.528086358e+00 3.08 -2.132660662e+00 -4.518177896e+00 -5.434625188e+00 3.10 -1.996670980e+00 -4.378114471e+00 -5.332639881e+00 3.12 -1.866642838e+00 -4.235469894e+00 -5.222003118e+00 3.14 -1.742563172e+00 -4.090327610e+00 -5.102510996e+00 3.16 -1.624418140e+00 -3.942720136e+00 -4.974015852e+00 3.18 -1.512170062e+00 -3.792649203e+00 -4.836453070e+00 3.20 -1.405737585e+00 -3.640110289e+00 -4.689848600e+00 3.22 -1.304983753e+00 -3.485119036e+00 -4.534327996e+00 3.24 -1.209714164e+00 -3.327737494e+00 -4.370127365e+00 3.26 -1.119684850e+00 -3.168098573e+00 -4.197606347e+00 3.28 -1.034617663e+00 -3.006427538e+00 -4.017262746e+00 3.30 -9.542199185e-01 -2.843059594e+00 -3.829747905e+00 3.32 -8.782048656e-01 -2.678452653e+00 -3.635881208e+00 3.34 -8.063099839e-01 -2.513194266e+00 -3.436661409e+00 3.36 -7.383108916e-01 -2.348001543e+00 -3.233271866e+00 3.38 -6.740295560e-01 -2.183712844e+00 -3.027076473e+00 3.40 -6.133363951e-01 -2.021270288e+00 -2.819603240e+00 3.42 -5.561466464e-01 -1.861692722e+00 -2.612513420e+00 3.44 -5.024120118e-01 -1.706039847e+00 -2.407555674e+00 3.46 -4.521090303e-01 -1.555369484e+00 -2.206507005e+00 3.48 -4.052258622e-01 -1.410691197e+00 -2.011104516e+00 3.50 -3.617491731e-01 -1.272920429e+00 -1.822974016e+00 3.52 -3.216525915e-01 -1.142837561e+00 -1.643562536e+00 3.54 -2.848878351e-01 -1.021055862e+00 -1.474081628e+00 3.56 -2.513791200e-01 -9.080011492e-01 -1.315466917e+00 3.58 -2.210209711e-01 -8.039043819e-01 -1.168357069e+00 3.60 -1.936791247e-01 -7.088068157e-01 -1.033092682e+00 3.62 -1.691939063e-01 -6.225758800e-01 -9.097331362e-01 3.64 -1.473853153e-01 -5.449290367e-01 -7.980876587e-01 3.66 -1.280590247e-01 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-8.470672538e-03 -3.223102622e-02 -4.790747402e-02 4.04 -7.275811871e-03 -2.768962683e-02 -4.116464350e-02 4.06 -6.252031303e-03 -2.379639908e-02 -3.538279253e-02 4.08 -5.374658260e-03 -2.045798078e-02 -3.042379694e-02 4.10 -4.622557181e-03 -1.759511857e-02 -2.617020687e-02 4.12 -3.977637853e-03 -1.513967648e-02 -2.252079555e-02 4.14 -3.424426420e-03 -1.303314852e-02 -1.938895897e-02 4.16 -2.949692943e-03 -1.122537728e-02 -1.670067534e-02 4.18 -2.542129337e-03 -9.673410271e-03 -1.439240967e-02 4.20 -2.192071761e-03 -8.340492618e-03 -1.240970424e-02 4.22 -1.891262051e-03 -7.195187724e-03 -1.070592552e-02 4.24 -1.632642825e-03 -6.210614755e-03 -9.241163855e-03 4.26 -1.410182216e-03 -5.363790574e-03 -7.981275426e-03 4.28 -1.218723828e-03 -4.635063833e-03 -6.897053253e-03 4.30 -1.053858554e-03 -4.007629576e-03 -5.963512963e-03 4.32 -9.118151290e-04 -3.467113715e-03 -5.159279421e-03 4.34 -7.893667331e-04 -3.001217796e-03 -4.466061183e-03 4.36 -6.837513259e-04 -2.599415628e-03 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-3.301114303e-07 -4.919516330e-07 5.80 -7.762763684e-08 -2.950487797e-07 -4.397091820e-07 5.82 -6.940048051e-08 -2.637932434e-07 -3.931382021e-07 5.84 -6.206456280e-08 -2.359223153e-07 -3.516093929e-07 5.86 -5.552121736e-08 -2.110614036e-07 -3.145648081e-07 5.88 -4.968293842e-08 -1.888782796e-07 -2.815095902e-07 5.90 -4.447209116e-08 -1.690781830e-07 -2.520046822e-07 5.92 -3.981977435e-08 -1.513995058e-07 -2.256604001e-07 5.94 -3.566481678e-08 -1.356099826e-07 -2.021307612e-07 5.96 -3.195289146e-08 -1.215033292e-07 -1.811084775e-07 5.98 -2.863573348e-08 -1.088962738e-07 -1.623205355e-07 6.00 -2.567044914e-08 -9.762593458e-08 -1.455242912e-07