# 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 = NiPt2Ti # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.097041853e+02 3.097041853e+02 1.30 2.884637846e+02 2.884637846e+02 1.32 2.686440538e+02 2.686440538e+02 1.34 2.501516683e+02 2.501516683e+02 1.36 2.328987866e+02 2.328987866e+02 1.38 2.167984201e+02 2.167984201e+02 1.40 2.017666818e+02 2.017666818e+02 1.42 1.877264531e+02 1.877264531e+02 1.44 1.746063442e+02 1.746063442e+02 1.46 1.623382190e+02 1.623382190e+02 1.48 1.508585935e+02 1.508585935e+02 1.50 1.401115721e+02 1.401115721e+02 1.52 1.300482810e+02 1.300482810e+02 1.54 1.206230029e+02 1.206230029e+02 1.56 1.117898589e+02 1.117898589e+02 1.58 1.035020874e+02 1.035020874e+02 1.60 9.571320772e+01 9.571320772e+01 1.62 8.837882634e+01 8.837882634e+01 1.64 8.145852529e+01 8.145852529e+01 1.66 7.491762600e+01 7.491762600e+01 1.68 6.872849534e+01 6.872849534e+01 1.70 6.287081868e+01 6.287081868e+01 1.72 5.733026854e+01 5.733026854e+01 1.74 5.209558259e+01 5.209558259e+01 1.76 4.715526319e+01 4.715526319e+01 1.78 4.249679132e+01 4.249679132e+01 1.80 3.818304525e+01 3.818304525e+01 1.82 3.423229791e+01 3.423229791e+01 1.84 3.061359161e+01 3.061359161e+01 1.86 2.730009066e+01 2.730009066e+01 1.88 2.426874370e+01 2.426874370e+01 1.90 2.149901745e+01 2.149901745e+01 1.92 1.897136933e+01 1.897136933e+01 1.94 1.666625991e+01 1.666625991e+01 1.96 1.456410993e+01 1.456410993e+01 1.98 1.264595790e+01 1.264595790e+01 2.00 1.089425137e+01 1.089425137e+01 2.02 9.293340796e+00 9.293340796e+00 2.04 7.829572882e+00 7.829572882e+00 2.06 6.491104833e+00 6.491104833e+00 2.08 5.267605063e+00 5.267605063e+00 2.10 4.149945347e+00 4.149945347e+00 2.12 3.129925801e+00 3.129925801e+00 2.14 2.200054003e+00 2.200054003e+00 2.16 1.353395912e+00 1.353395912e+00 2.18 5.835031383e-01 5.835031383e-01 2.20 -1.156030817e-01 -1.156030817e-01 2.22 -7.494236187e-01 -7.494236187e-01 2.24 -1.322973633e+00 -1.322973633e+00 2.26 -1.840786866e+00 -1.840786866e+00 2.28 -2.306937563e+00 -2.306937563e+00 2.30 -2.725084859e+00 -2.725084859e+00 2.32 -3.098541818e+00 -3.098541818e+00 2.34 -3.430359251e+00 -3.430359251e+00 2.36 -3.723406212e+00 -3.723406212e+00 2.38 -3.980431576e+00 -3.980431576e+00 2.40 -4.204102922e+00 -4.204102922e+00 2.42 -4.397029085e+00 -4.397029085e+00 2.44 -4.561774034e+00 -4.561774034e+00 2.46 -4.700865575e+00 -4.700865575e+00 2.48 -4.816797157e+00 -4.816797157e+00 2.50 -4.912018851e+00 -4.912018851e+00 2.52 -4.988912455e+00 -4.988912455e+00 2.54 -5.049838362e+00 -5.049838362e+00 2.56 -5.098929751e+00 -5.098929751e+00 2.58 -5.138292323e+00 -5.138292323e+00 2.60 -5.168820922e+00 -5.168820922e+00 2.62 -5.191227259e+00 -5.191227259e+00 2.64 -5.206037555e+00 -5.206037555e+00 2.66 -5.213634840e+00 -5.213634840e+00 2.68 -5.214329407e+00 -5.214329407e+00 2.70 -5.208297564e+00 -5.208297564e+00 2.72 -5.195699353e+00 -5.195699353e+00 2.74 -5.176712121e+00 -5.176712121e+00 2.76 -5.151533843e+00 -5.151533843e+00 2.78 -5.120377591e+00 -5.120377591e+00 2.80 -5.083463682e+00 -5.083463682e+00 2.82 -5.041014719e+00 -5.041014719e+00 2.84 -4.993256936e+00 -4.993256936e+00 2.86 -4.940396218e+00 -4.940396218e+00 2.88 -4.882587887e+00 -4.882587887e+00 2.90 -4.820017180e+00 -4.820017180e+00 2.92 -4.752974175e+00 -4.752974175e+00 2.94 -4.681864185e+00 -4.681864185e+00 2.96 -4.607204253e+00 -4.607204253e+00 2.98 -4.529604271e+00 -4.529604271e+00 3.00 -4.449732171e+00 -4.449732171e+00 3.02 -4.368267248e+00 -4.368267248e+00 3.04 -4.285849696e+00 -4.285849696e+00 3.06 -4.203036281e+00 -4.203036281e+00 3.08 -4.120269853e+00 -4.120269853e+00 3.10 -4.037867636e+00 -4.037867636e+00 3.12 -3.956026997e+00 -3.956026997e+00 3.14 -3.874844677e+00 -3.874844677e+00 3.16 -3.794342205e+00 -3.794342205e+00 3.18 -3.714492585e+00 -3.714492585e+00 3.20 -3.635243151e+00 -3.635243151e+00 3.22 -3.556532941e+00 -3.556532941e+00 3.24 -3.478304399e+00 -3.478304399e+00 3.26 -3.400510264e+00 -3.400510264e+00 3.28 -3.323116960e+00 -3.323116960e+00 3.30 -3.246105628e+00 -3.246105628e+00 3.32 -3.169471730e+00 -3.169471730e+00 3.34 -3.093223783e+00 -3.093223783e+00 3.36 -3.017381628e+00 -3.017381628e+00 3.38 -2.941974792e+00 -2.941974792e+00 3.40 -2.867078880e+00 -2.867078880e+00 3.42 -2.792841563e+00 -2.792841563e+00 3.44 -2.719401479e+00 -2.719401479e+00 3.46 -2.646880293e+00 -2.646880293e+00 3.48 -2.575384806e+00 -2.575384806e+00 3.50 -2.505008813e+00 -2.505008813e+00 3.52 -2.435834530e+00 -2.435834530e+00 3.54 -2.367933391e+00 -2.367933391e+00 3.56 -2.301366077e+00 -2.301366077e+00 3.58 -2.236181831e+00 -2.236181831e+00 3.60 -2.172417349e+00 -2.172417349e+00 3.62 -2.110095709e+00 -2.110095709e+00 3.64 -2.049225809e+00 -2.049225809e+00 3.66 -1.989802681e+00 -1.989802681e+00 3.68 -1.931808777e+00 -1.931808777e+00 3.70 -1.875216113e+00 -1.875216113e+00 3.72 -1.819988994e+00 -1.819988994e+00 3.74 -1.766087007e+00 -1.766087007e+00 3.76 -1.713467979e+00 -1.713467979e+00 3.78 -1.662090669e+00 -1.662090669e+00 3.80 -1.611916992e+00 -1.611916992e+00 3.82 -1.562913627e+00 -1.562913627e+00 3.84 -1.515052885e+00 -1.515052885e+00 3.86 -1.468312791e+00 -1.468312791e+00 3.88 -1.422676406e+00 -1.422676406e+00 3.90 -1.378130555e+00 -1.378130555e+00 3.92 -1.334664182e+00 -1.334664182e+00 3.94 -1.292266811e+00 -1.292266811e+00 3.96 -1.250927103e+00 -1.250927103e+00 3.98 -1.210632241e+00 -1.210632241e+00 4.00 -1.171367918e+00 -1.171367918e+00 4.02 -1.133119053e+00 -1.133119053e+00 4.04 -1.095871047e+00 -1.095871047e+00 4.06 -1.059611298e+00 -1.059611298e+00 4.08 -1.024330664e+00 -1.024330664e+00 4.10 -9.900245103e-01 -9.900245103e-01 4.12 -9.566933429e-01 -9.566933429e-01 4.14 -9.243421415e-01 -9.243421415e-01 4.16 -8.929793317e-01 -8.929793317e-01 4.18 -8.626147057e-01 -8.626147057e-01 4.20 -8.332568458e-01 -8.332568458e-01 4.22 -8.049103280e-01 -8.049103280e-01 4.24 -7.775730984e-01 -7.775730984e-01 4.26 -7.512343920e-01 -7.512343920e-01 4.28 -7.258734686e-01 -7.258734686e-01 4.30 -7.014592950e-01 -7.014592950e-01 4.32 -6.779511400e-01 -6.779511400e-01 4.34 -6.552999065e-01 -6.552999065e-01 4.36 -6.334499393e-01 -6.334499393e-01 4.38 -6.123410185e-01 -6.123410185e-01 4.40 -5.919102771e-01 -5.919102771e-01 4.42 -5.720938494e-01 -5.720938494e-01 4.44 -5.528281413e-01 -5.528281413e-01 4.46 -5.340506978e-01 -5.340506978e-01 4.48 -5.157007164e-01 -5.157007164e-01 4.50 -4.977193019e-01 -4.977193019e-01 4.52 -4.800495913e-01 -4.800495913e-01 4.54 -4.626368812e-01 -4.626368812e-01 4.56 -4.454288766e-01 -4.454288766e-01 4.58 -4.283761574e-01 -4.283761574e-01 4.60 -4.114329192e-01 -4.114329192e-01 4.62 -3.945580106e-01 -3.945580106e-01 4.64 -3.777162465e-01 -3.777162465e-01 4.66 -3.608799432e-01 -3.608799432e-01 4.68 -3.440305815e-01 -3.440305815e-01 4.70 -3.271604744e-01 -3.271604744e-01 4.72 -3.102742844e-01 -3.102742844e-01 4.74 -2.933902136e-01 -2.933902136e-01 4.76 -2.765406804e-01 -2.765406804e-01 4.78 -2.597723079e-01 -2.597723079e-01 4.80 -2.431450420e-01 -2.431450420e-01 4.82 -2.267305799e-01 -2.267305799e-01 4.84 -2.106094754e-01 -2.106094754e-01 4.86 -1.948679369e-01 -1.948679369e-01 4.88 -1.795938569e-01 -1.795938569e-01 4.90 -1.648726680e-01 -1.648726680e-01 4.92 -1.507833295e-01 -1.507833295e-01 4.94 -1.373947859e-01 -1.373947859e-01 4.96 -1.247631812e-01 -1.247631812e-01 4.98 -1.129300096e-01 -1.129300096e-01 5.00 -1.019212683e-01 -1.019212683e-01 5.02 -9.174756247e-02 -9.174756247e-02 5.04 -8.240502508e-02 -8.240502508e-02 5.06 -7.387685565e-02 -7.387685565e-02 5.08 -6.613526685e-02 -6.613526685e-02 5.10 -5.914363582e-02 -5.914363582e-02 5.12 -5.285868862e-02 -5.285868862e-02 5.14 -4.723258584e-02 -4.723258584e-02 5.16 -4.221481733e-02 -4.221481733e-02 5.18 -3.775385028e-02 -3.775385028e-02 5.20 -3.379850151e-02 -3.379850151e-02 5.22 -3.029903463e-02 -3.029903463e-02 5.24 -2.720798836e-02 -2.720798836e-02 5.26 -2.448069775e-02 -2.448069775e-02 5.28 -2.207559130e-02 -2.207559130e-02 5.30 -1.995481145e-02 -1.995481145e-02 5.32 -1.808393430e-02 -1.808393430e-02 5.34 -1.643216101e-02 -1.643216101e-02 5.36 -1.497184705e-02 -1.497184705e-02 5.38 -1.367835738e-02 -1.367835738e-02 5.40 -1.252987470e-02 -1.252987470e-02 5.42 -1.150717541e-02 -1.150717541e-02 5.44 -1.059339264e-02 -1.059339264e-02 5.46 -9.773779938e-03 -9.773779938e-03 5.48 -9.035484721e-03 -9.035484721e-03 5.50 -8.367337189e-03 -8.367337189e-03 5.52 -7.759657985e-03 -7.759657985e-03 5.54 -7.204084553e-03 -7.204084553e-03 5.56 -6.693422408e-03 -6.693422408e-03 5.58 -6.221511786e-03 -6.221511786e-03 5.60 -5.783111894e-03 -5.783111894e-03 5.62 -5.373801550e-03 -5.373801550e-03 5.64 -4.989892847e-03 -4.989892847e-03 5.66 -4.628355078e-03 -4.628355078e-03 5.68 -4.286746085e-03 -4.286746085e-03 5.70 -3.963148253e-03 -3.963148253e-03 5.72 -3.656106652e-03 -3.656106652e-03 5.74 -3.364567341e-03 -3.364567341e-03 5.76 -3.087822736e-03 -3.087822736e-03 5.78 -2.825887476e-03 -2.825887476e-03 5.80 -2.578619831e-03 -2.578619831e-03 5.82 -2.345709784e-03 -2.345709784e-03 5.84 -2.126958040e-03 -2.126958040e-03 5.86 -1.922223790e-03 -1.922223790e-03 5.88 -1.731378113e-03 -1.731378113e-03 5.90 -1.554264798e-03 -1.554264798e-03 5.92 -1.390670009e-03 -1.390670009e-03 5.94 -1.240301587e-03 -1.240301587e-03 5.96 -1.102778063e-03 -1.102778063e-03 5.98 -9.776267089e-04 -9.776267089e-04 6.00 -8.642893276e-04 -8.642893276e-04