# 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 = MgNiPb2 # 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 3.356650833e+02 3.356650833e+02 1.30 3.125649963e+02 3.125649963e+02 1.32 2.911212226e+02 2.911212226e+02 1.34 2.712032755e+02 2.712032755e+02 1.36 2.526914981e+02 2.526914981e+02 1.38 2.354758541e+02 2.354758541e+02 1.40 2.194556346e+02 2.194556346e+02 1.42 2.045395297e+02 2.045395297e+02 1.44 1.906450291e+02 1.906450291e+02 1.46 1.776970886e+02 1.776970886e+02 1.48 1.656268491e+02 1.656268491e+02 1.50 1.543709010e+02 1.543709010e+02 1.52 1.438708255e+02 1.438708255e+02 1.54 1.340726857e+02 1.340726857e+02 1.56 1.249264067e+02 1.249264067e+02 1.58 1.163853540e+02 1.163853540e+02 1.60 1.084061538e+02 1.084061538e+02 1.62 1.009487311e+02 1.009487311e+02 1.64 9.397631624e+01 9.397631624e+01 1.66 8.745628631e+01 8.745628631e+01 1.68 8.136966681e+01 8.136966681e+01 1.70 7.569024095e+01 7.569024095e+01 1.72 7.039018233e+01 7.039018233e+01 1.74 6.544347309e+01 6.544347309e+01 1.76 6.082581716e+01 6.082581716e+01 1.78 5.651466442e+01 5.651466442e+01 1.80 5.248918367e+01 5.248918367e+01 1.82 4.873016248e+01 4.873016248e+01 1.84 4.521985093e+01 4.521985093e+01 1.86 4.194181039e+01 4.194181039e+01 1.88 3.888077270e+01 3.888077270e+01 1.90 3.602248758e+01 3.602248758e+01 1.92 3.335357215e+01 3.335357215e+01 1.94 3.086143543e+01 3.086143543e+01 1.96 2.853423215e+01 2.853423215e+01 1.98 2.636085958e+01 2.636085958e+01 2.00 2.433095132e+01 2.433095132e+01 2.02 2.243486006e+01 2.243486006e+01 2.04 2.066363177e+01 2.066363177e+01 2.06 1.900898251e+01 1.900898251e+01 2.08 1.746328076e+01 1.746328076e+01 2.10 1.601951412e+01 1.601951412e+01 2.12 1.467124725e+01 1.467124725e+01 2.14 1.341254892e+01 1.341254892e+01 2.16 1.223791342e+01 1.223791342e+01 2.18 1.114218557e+01 1.114218557e+01 2.20 1.012049843e+01 1.012049843e+01 2.22 9.168235223e+00 9.168235223e+00 2.24 8.281013414e+00 8.281013414e+00 2.26 7.454687529e+00 7.454687529e+00 2.28 6.685360523e+00 6.685360523e+00 2.30 5.969388667e+00 5.969388667e+00 2.32 5.303365010e+00 5.303365010e+00 2.34 4.684103093e+00 4.684103093e+00 2.36 4.108594678e+00 4.108594678e+00 2.38 3.573982351e+00 3.573982351e+00 2.40 3.077543960e+00 3.077543960e+00 2.42 2.616693273e+00 2.616693273e+00 2.44 2.188992861e+00 2.188992861e+00 2.46 1.792170262e+00 1.792170262e+00 2.48 1.424129853e+00 1.424129853e+00 2.50 1.082954974e+00 1.082954974e+00 2.52 7.668992321e-01 7.668992321e-01 2.54 4.743693100e-01 4.743693100e-01 2.56 2.039061609e-01 2.039061609e-01 2.58 -4.583840286e-02 -4.583840286e-02 2.60 -2.761207474e-01 -2.761207474e-01 2.62 -4.881202074e-01 -4.881202074e-01 2.64 -6.829572887e-01 -6.829572887e-01 2.66 -8.616973505e-01 -8.616973505e-01 2.68 -1.025364986e+00 -1.025364986e+00 2.70 -1.174934479e+00 -1.174934479e+00 2.72 -1.311258436e+00 -1.311258436e+00 2.74 -1.435139161e+00 -1.435139161e+00 2.76 -1.547364413e+00 -1.547364413e+00 2.78 -1.648697283e+00 -1.648697283e+00 2.80 -1.739868088e+00 -1.739868088e+00 2.82 -1.821562812e+00 -1.821562812e+00 2.84 -1.894420555e+00 -1.894420555e+00 2.86 -1.959032006e+00 -1.959032006e+00 2.88 -2.015941849e+00 -2.015941849e+00 2.90 -2.065653201e+00 -2.065653201e+00 2.92 -2.108632797e+00 -2.108632797e+00 2.94 -2.145316023e+00 -2.145316023e+00 2.96 -2.176111373e+00 -2.176111373e+00 2.98 -2.201404273e+00 -2.201404273e+00 3.00 -2.221560342e+00 -2.221560342e+00 3.02 -2.236928262e+00 -2.236928262e+00 3.04 -2.247841444e+00 -2.247841444e+00 3.06 -2.254623951e+00 -2.254623951e+00 3.08 -2.257586655e+00 -2.257586655e+00 3.10 -2.257046106e+00 -2.257046106e+00 3.12 -2.253359150e+00 -2.253359150e+00 3.14 -2.246762341e+00 -2.246762341e+00 3.16 -2.237476117e+00 -2.237476117e+00 3.18 -2.225728875e+00 -2.225728875e+00 3.20 -2.211749983e+00 -2.211749983e+00 3.22 -2.195763950e+00 -2.195763950e+00 3.24 -2.177984853e+00 -2.177984853e+00 3.26 -2.158611601e+00 -2.158611601e+00 3.28 -2.137818026e+00 -2.137818026e+00 3.30 -2.115743983e+00 -2.115743983e+00 3.32 -2.092517525e+00 -2.092517525e+00 3.34 -2.068262973e+00 -2.068262973e+00 3.36 -2.043068018e+00 -2.043068018e+00 3.38 -2.017010024e+00 -2.017010024e+00 3.40 -1.990159670e+00 -1.990159670e+00 3.42 -1.962583119e+00 -1.962583119e+00 3.44 -1.934340307e+00 -1.934340307e+00 3.46 -1.905487163e+00 -1.905487163e+00 3.48 -1.876075724e+00 -1.876075724e+00 3.50 -1.846154499e+00 -1.846154499e+00 3.52 -1.815760846e+00 -1.815760846e+00 3.54 -1.784916657e+00 -1.784916657e+00 3.56 -1.753645458e+00 -1.753645458e+00 3.58 -1.721974250e+00 -1.721974250e+00 3.60 -1.689933921e+00 -1.689933921e+00 3.62 -1.657559724e+00 -1.657559724e+00 3.64 -1.624891732e+00 -1.624891732e+00 3.66 -1.591975166e+00 -1.591975166e+00 3.68 -1.558860487e+00 -1.558860487e+00 3.70 -1.525603157e+00 -1.525603157e+00 3.72 -1.492263042e+00 -1.492263042e+00 3.74 -1.458903430e+00 -1.458903430e+00 3.76 -1.425589789e+00 -1.425589789e+00 3.78 -1.392388364e+00 -1.392388364e+00 3.80 -1.359364812e+00 -1.359364812e+00 3.82 -1.326582972e+00 -1.326582972e+00 3.84 -1.294103852e+00 -1.294103852e+00 3.86 -1.261984794e+00 -1.261984794e+00 3.88 -1.230278732e+00 -1.230278732e+00 3.90 -1.199033462e+00 -1.199033462e+00 3.92 -1.168290005e+00 -1.168290005e+00 3.94 -1.138085475e+00 -1.138085475e+00 3.96 -1.108446743e+00 -1.108446743e+00 3.98 -1.079394059e+00 -1.079394059e+00 4.00 -1.050939949e+00 -1.050939949e+00 4.02 -1.023089561e+00 -1.023089561e+00 4.04 -9.958413386e-01 -9.958413386e-01 4.06 -9.691879380e-01 -9.691879380e-01 4.08 -9.431172590e-01 -9.431172590e-01 4.10 -9.176112143e-01 -9.176112143e-01 4.12 -8.926561880e-01 -8.926561880e-01 4.14 -8.682289551e-01 -8.682289551e-01 4.16 -8.443078810e-01 -8.443078810e-01 4.18 -8.208707638e-01 -8.208707638e-01 4.20 -7.978953727e-01 -7.978953727e-01 4.22 -7.753599514e-01 -7.753599514e-01 4.24 -7.532437218e-01 -7.532437218e-01 4.26 -7.315274182e-01 -7.315274182e-01 4.28 -7.101938706e-01 -7.101938706e-01 4.30 -6.892286373e-01 -6.892286373e-01 4.32 -6.686206686e-01 -6.686206686e-01 4.34 -6.483629632e-01 -6.483629632e-01 4.36 -6.284531546e-01 -6.284531546e-01 4.38 -6.088939487e-01 -6.088939487e-01 4.40 -5.896933236e-01 -5.896933236e-01 4.42 -5.708644036e-01 -5.708644036e-01 4.44 -5.524249437e-01 -5.524249437e-01 4.46 -5.343963967e-01 -5.343963967e-01 4.48 -5.168025939e-01 -5.168025939e-01 4.50 -4.996681308e-01 -4.996681308e-01 4.52 -4.830166039e-01 -4.830166039e-01 4.54 -4.668688817e-01 -4.668688817e-01 4.56 -4.512415941e-01 -4.512415941e-01 4.58 -4.361459959e-01 -4.361459959e-01 4.60 -4.215873026e-01 -4.215873026e-01 4.62 -4.075645256e-01 -4.075645256e-01 4.64 -3.940707651e-01 -3.940707651e-01 4.66 -3.810938696e-01 -3.810938696e-01 4.68 -3.686173398e-01 -3.686173398e-01 4.70 -3.566213507e-01 -3.566213507e-01 4.72 -3.450837829e-01 -3.450837829e-01 4.74 -3.339811758e-01 -3.339811758e-01 4.76 -3.232895509e-01 -3.232895509e-01 4.78 -3.129850765e-01 -3.129850765e-01 4.80 -3.030428703e-01 -3.030428703e-01 4.82 -2.934444250e-01 -2.934444250e-01 4.84 -2.841667689e-01 -2.841667689e-01 4.86 -2.751902994e-01 -2.751902994e-01 4.88 -2.664967990e-01 -2.664967990e-01 4.90 -2.580694215e-01 -2.580694215e-01 4.92 -2.498926446e-01 -2.498926446e-01 4.94 -2.419522058e-01 -2.419522058e-01 4.96 -2.342350326e-01 -2.342350326e-01 4.98 -2.267291793e-01 -2.267291793e-01 5.00 -2.194237742e-01 -2.194237742e-01 5.02 -2.123089832e-01 -2.123089832e-01 5.04 -2.053759882e-01 -2.053759882e-01 5.06 -1.986169828e-01 -1.986169828e-01 5.08 -1.920251779e-01 -1.920251779e-01 5.10 -1.855948164e-01 -1.855948164e-01 5.12 -1.793211869e-01 -1.793211869e-01 5.14 -1.732006316e-01 -1.732006316e-01 5.16 -1.672305367e-01 -1.672305367e-01 5.18 -1.614092975e-01 -1.614092975e-01 5.20 -1.557362545e-01 -1.557362545e-01 5.22 -1.502115899e-01 -1.502115899e-01 5.24 -1.448361858e-01 -1.448361858e-01 5.26 -1.396114440e-01 -1.396114440e-01 5.28 -1.345390753e-01 -1.345390753e-01 5.30 -1.296208686e-01 -1.296208686e-01 5.32 -1.248584536e-01 -1.248584536e-01 5.34 -1.202530719e-01 -1.202530719e-01 5.36 -1.158053743e-01 -1.158053743e-01 5.38 -1.115152574e-01 -1.115152574e-01 5.40 -1.073817469e-01 -1.073817469e-01 5.42 -1.034029336e-01 -1.034029336e-01 5.44 -9.957596045e-02 -9.957596045e-02 5.46 -9.589705633e-02 -9.589705633e-02 5.48 -9.236160751e-02 -9.236160751e-02 5.50 -8.896425742e-02 -8.896425742e-02 5.52 -8.569896653e-02 -8.569896653e-02 5.54 -8.255898979e-02 -8.255898979e-02 5.56 -7.953755858e-02 -7.953755858e-02 5.58 -7.662767951e-02 -7.662767951e-02 5.60 -7.382220043e-02 -7.382220043e-02 5.62 -7.111392310e-02 -7.111392310e-02 5.64 -6.849570322e-02 -6.849570322e-02 5.66 -6.596053759e-02 -6.596053759e-02 5.68 -6.350163929e-02 -6.350163929e-02 5.70 -6.111250210e-02 -6.111250210e-02 5.72 -5.878695556e-02 -5.878695556e-02 5.74 -5.651921267e-02 -5.651921267e-02 5.76 -5.430391183e-02 -5.430391183e-02 5.78 -5.213615476e-02 -5.213615476e-02 5.80 -5.001154182e-02 -5.001154182e-02 5.82 -4.792620556e-02 -4.792620556e-02 5.84 -4.587684310e-02 -4.587684310e-02 5.86 -4.386074677e-02 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