# 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 = AgAlNi2 # 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 1.303784095e+02 1.303784095e+02 1.30 1.203323034e+02 1.203323034e+02 1.32 1.110476220e+02 1.110476220e+02 1.34 1.024603218e+02 1.024603218e+02 1.36 9.451365553e+01 9.451365553e+01 1.38 8.715839657e+01 8.715839657e+01 1.40 8.035114736e+01 8.035114736e+01 1.42 7.405212869e+01 7.405212869e+01 1.44 6.822340483e+01 6.822340483e+01 1.46 6.282802334e+01 6.282802334e+01 1.48 5.783042279e+01 5.783042279e+01 1.50 5.319774276e+01 5.319774276e+01 1.52 4.890090150e+01 4.890090150e+01 1.54 4.491459705e+01 4.491459705e+01 1.56 4.121640138e+01 4.121640138e+01 1.58 3.778570162e+01 3.778570162e+01 1.60 3.460308134e+01 3.460308134e+01 1.62 3.165119891e+01 3.165119891e+01 1.64 2.891456197e+01 2.891456197e+01 1.66 2.637817982e+01 2.637817982e+01 1.68 2.402684275e+01 2.402684275e+01 1.70 2.184642548e+01 2.184642548e+01 1.72 1.982390956e+01 1.982390956e+01 1.74 1.794734883e+01 1.794734883e+01 1.76 1.620579633e+01 1.620579633e+01 1.78 1.458929414e+01 1.458929414e+01 1.80 1.308893574e+01 1.308893574e+01 1.82 1.169690116e+01 1.169690116e+01 1.84 1.040636801e+01 1.040636801e+01 1.86 9.211281233e+00 9.211281233e+00 1.88 8.106041084e+00 8.106041084e+00 1.90 7.085202067e+00 7.085202067e+00 1.92 6.143263112e+00 6.143263112e+00 1.94 5.274595436e+00 5.274595436e+00 1.96 4.473514923e+00 4.473514923e+00 1.98 3.734463565e+00 3.734463565e+00 2.00 3.052230085e+00 3.052230085e+00 2.02 2.422131943e+00 2.422131943e+00 2.04 1.840103155e+00 1.840103155e+00 2.06 1.302673125e+00 1.302673125e+00 2.08 8.068635659e-01 8.068635659e-01 2.10 3.500537004e-01 3.500537004e-01 2.12 -7.014125252e-02 -7.014125252e-02 2.14 -4.559561752e-01 -4.559561752e-01 2.16 -8.095258585e-01 -8.095258585e-01 2.18 -1.132907938e+00 -1.132907938e+00 2.20 -1.428089317e+00 -1.428089317e+00 2.22 -1.696983614e+00 -1.696983614e+00 2.24 -1.941424035e+00 -1.941424035e+00 2.26 -2.163154653e+00 -2.163154653e+00 2.28 -2.363823799e+00 -2.363823799e+00 2.30 -2.544983060e+00 -2.544983060e+00 2.32 -2.708091640e+00 -2.708091640e+00 2.34 -2.854519273e+00 -2.854519273e+00 2.36 -2.985539810e+00 -2.985539810e+00 2.38 -3.102314613e+00 -3.102314613e+00 2.40 -3.205875726e+00 -3.205875726e+00 2.42 -3.297123465e+00 -3.297123465e+00 2.44 -3.376841236e+00 -3.376841236e+00 2.46 -3.445730112e+00 -3.445730112e+00 2.48 -3.504451152e+00 -3.504451152e+00 2.50 -3.553657315e+00 -3.553657315e+00 2.52 -3.594014302e+00 -3.594014302e+00 2.54 -3.626210674e+00 -3.626210674e+00 2.56 -3.650959844e+00 -3.650959844e+00 2.58 -3.669399559e+00 -3.669399559e+00 2.60 -3.682303731e+00 -3.682303731e+00 2.62 -3.689772389e+00 -3.689772389e+00 2.64 -3.692007297e+00 -3.692007297e+00 2.66 -3.689274575e+00 -3.689274575e+00 2.68 -3.681871120e+00 -3.681871120e+00 2.70 -3.670102038e+00 -3.670102038e+00 2.72 -3.654269864e+00 -3.654269864e+00 2.74 -3.634674776e+00 -3.634674776e+00 2.76 -3.611655456e+00 -3.611655456e+00 2.78 -3.585560846e+00 -3.585560846e+00 2.80 -3.556576864e+00 -3.556576864e+00 2.82 -3.524862376e+00 -3.524862376e+00 2.84 -3.490550445e+00 -3.490550445e+00 2.86 -3.453746933e+00 -3.453746933e+00 2.88 -3.414535462e+00 -3.414535462e+00 2.90 -3.372986643e+00 -3.372986643e+00 2.92 -3.329169264e+00 -3.329169264e+00 2.94 -3.283163191e+00 -3.283163191e+00 2.96 -3.235074076e+00 -3.235074076e+00 2.98 -3.185037344e+00 -3.185037344e+00 3.00 -3.133224049e+00 -3.133224049e+00 3.02 -3.079844819e+00 -3.079844819e+00 3.04 -3.025148752e+00 -3.025148752e+00 3.06 -2.969416224e+00 -2.969416224e+00 3.08 -2.912945634e+00 -2.912945634e+00 3.10 -2.856036042e+00 -2.856036042e+00 3.12 -2.798968807e+00 -2.798968807e+00 3.14 -2.741991941e+00 -2.741991941e+00 3.16 -2.685309866e+00 -2.685309866e+00 3.18 -2.629079827e+00 -2.629079827e+00 3.20 -2.573414198e+00 -2.573414198e+00 3.22 -2.518386904e+00 -2.518386904e+00 3.24 -2.464041792e+00 -2.464041792e+00 3.26 -2.410401109e+00 -2.410401109e+00 3.28 -2.357472920e+00 -2.357472920e+00 3.30 -2.305256922e+00 -2.305256922e+00 3.32 -2.253748587e+00 -2.253748587e+00 3.34 -2.202941843e+00 -2.202941843e+00 3.36 -2.152830592e+00 -2.152830592e+00 3.38 -2.103409373e+00 -2.103409373e+00 3.40 -2.054673433e+00 -2.054673433e+00 3.42 -2.006618445e+00 -2.006618445e+00 3.44 -1.959240011e+00 -1.959240011e+00 3.46 -1.912533159e+00 -1.912533159e+00 3.48 -1.866491901e+00 -1.866491901e+00 3.50 -1.821108956e+00 -1.821108956e+00 3.52 -1.776375672e+00 -1.776375672e+00 3.54 -1.732282162e+00 -1.732282162e+00 3.56 -1.688817594e+00 -1.688817594e+00 3.58 -1.645970601e+00 -1.645970601e+00 3.60 -1.603729715e+00 -1.603729715e+00 3.62 -1.562083798e+00 -1.562083798e+00 3.64 -1.521022433e+00 -1.521022433e+00 3.66 -1.480536299e+00 -1.480536299e+00 3.68 -1.440617585e+00 -1.440617585e+00 3.70 -1.401260507e+00 -1.401260507e+00 3.72 -1.362461987e+00 -1.362461987e+00 3.74 -1.324222510e+00 -1.324222510e+00 3.76 -1.286547097e+00 -1.286547097e+00 3.78 -1.249446271e+00 -1.249446271e+00 3.80 -1.212936795e+00 -1.212936795e+00 3.82 -1.177041912e+00 -1.177041912e+00 3.84 -1.141790845e+00 -1.141790845e+00 3.86 -1.107217360e+00 -1.107217360e+00 3.88 -1.073357383e+00 -1.073357383e+00 3.90 -1.040245847e+00 -1.040245847e+00 3.92 -1.007913130e+00 -1.007913130e+00 3.94 -9.763816334e-01 -9.763816334e-01 3.96 -9.456629335e-01 -9.456629335e-01 3.98 -9.157560064e-01 -9.157560064e-01 4.00 -8.866466601e-01 -8.866466601e-01 4.02 -8.583081799e-01 -8.583081799e-01 4.04 -8.307029714e-01 -8.307029714e-01 4.06 -8.037848923e-01 -8.037848923e-01 4.08 -7.775019475e-01 -7.775019475e-01 4.10 -7.517990616e-01 -7.517990616e-01 4.12 -7.266208034e-01 -7.266208034e-01 4.14 -7.019137947e-01 -7.019137947e-01 4.16 -6.776289765e-01 -6.776289765e-01 4.18 -6.537235506e-01 -6.537235506e-01 4.20 -6.301626497e-01 -6.301626497e-01 4.22 -6.069206990e-01 -6.069206990e-01 4.24 -5.839824167e-01 -5.839824167e-01 4.26 -5.613433887e-01 -5.613433887e-01 4.28 -5.390101581e-01 -5.390101581e-01 4.30 -5.169997924e-01 -5.169997924e-01 4.32 -4.953389380e-01 -4.953389380e-01 4.34 -4.740624230e-01 -4.740624230e-01 4.36 -4.532115123e-01 -4.532115123e-01 4.38 -4.328319433e-01 -4.328319433e-01 4.40 -4.129718600e-01 -4.129718600e-01 4.42 -3.936797319e-01 -3.936797319e-01 4.44 -3.750023035e-01 -3.750023035e-01 4.46 -3.569825861e-01 -3.569825861e-01 4.48 -3.396579081e-01 -3.396579081e-01 4.50 -3.230580592e-01 -3.230580592e-01 4.52 -3.072036210e-01 -3.072036210e-01 4.54 -2.921046104e-01 -2.921046104e-01 4.56 -2.777595875e-01 -2.777595875e-01 4.58 -2.641553531e-01 -2.641553531e-01 4.60 -2.512673027e-01 -2.512673027e-01 4.62 -2.390604345e-01 -2.390604345e-01 4.64 -2.274909095e-01 -2.274909095e-01 4.66 -2.165080170e-01 -2.165080170e-01 4.68 -2.060563693e-01 -2.060563693e-01 4.70 -1.960781796e-01 -1.960781796e-01 4.72 -1.865154568e-01 -1.865154568e-01 4.74 -1.773119600e-01 -1.773119600e-01 4.76 -1.684148183e-01 -1.684148183e-01 4.78 -1.597764987e-01 -1.597764987e-01 4.80 -1.513560505e-01 -1.513560505e-01 4.82 -1.431199642e-01 -1.431199642e-01 4.84 -1.350425758e-01 -1.350425758e-01 4.86 -1.271066455e-01 -1.271066455e-01 4.88 -1.193035715e-01 -1.193035715e-01 4.90 -1.116332704e-01 -1.116332704e-01 4.92 -1.041037031e-01 -1.041037031e-01 4.94 -9.673003804e-02 -9.673003804e-02 4.96 -8.953346450e-02 -8.953346450e-02 4.98 -8.253969736e-02 -8.253969736e-02 5.00 -7.577724859e-02 -7.577724859e-02 5.02 -6.927557176e-02 -6.927557176e-02 5.04 -6.306320794e-02 -6.306320794e-02 5.06 -5.716606806e-02 -5.716606806e-02 5.08 -5.160597564e-02 -5.160597564e-02 5.10 -4.639956611e-02 -4.639956611e-02 5.12 -4.155759917e-02 -4.155759917e-02 5.14 -3.708469586e-02 -3.708469586e-02 5.16 -3.297947018e-02 -3.297947018e-02 5.18 -2.923499129e-02 -2.923499129e-02 5.20 -2.583949243e-02 -2.583949243e-02 5.22 -2.277723409e-02 -2.277723409e-02 5.24 -2.002943209e-02 -2.002943209e-02 5.26 -1.757518182e-02 -1.757518182e-02 5.28 -1.539231570e-02 -1.539231570e-02 5.30 -1.345814221e-02 -1.345814221e-02 5.32 -1.174974317e-02 -1.174974317e-02 5.34 -1.024530818e-02 -1.024530818e-02 5.36 -8.924135778e-03 -8.924135778e-03 5.38 -7.766662478e-03 -7.766662478e-03 5.40 -6.754673157e-03 -6.754673157e-03 5.42 -5.871414862e-03 -5.871414862e-03 5.44 -5.101635946e-03 -5.101635946e-03 5.46 -4.431569778e-03 -4.431569778e-03 5.48 -3.848879256e-03 -3.848879256e-03 5.50 -3.342575311e-03 -3.342575311e-03 5.52 -2.902919724e-03 -2.902919724e-03 5.54 -2.521320122e-03 -2.521320122e-03 5.56 -2.190222911e-03 -2.190222911e-03 5.58 -1.903008202e-03 -1.903008202e-03 5.60 -1.653889475e-03 -1.653889475e-03 5.62 -1.437819684e-03 -1.437819684e-03 5.64 -1.250404749e-03 -1.250404749e-03 5.66 -1.087824819e-03 -1.087824819e-03 5.68 -9.467633192e-04 -9.467633192e-04 5.70 -8.243435029e-04 -8.243435029e-04 5.72 -7.180720995e-04 -7.180720995e-04 5.74 -6.257895208e-04 -6.257895208e-04 5.76 -5.456260621e-04 -5.456260621e-04 5.78 -4.759635174e-04 -4.759635174e-04 5.80 -4.154016417e-04 -4.154016417e-04 5.82 -3.627289236e-04 -3.627289236e-04 5.84 -3.168971660e-04 -3.168971660e-04 5.86 -2.769994193e-04 -2.769994193e-04 5.88 -2.422508500e-04 -2.422508500e-04 5.90 -2.119721745e-04 -2.119721745e-04 5.92 -1.855753277e-04 -1.855753277e-04 5.94 -1.625510727e-04 -1.625510727e-04 5.96 -1.424582957e-04 -1.424582957e-04 5.98 -1.249147606e-04 -1.249147606e-04 6.00 -1.095891261e-04 -1.095891261e-04