# 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 = MgPd2W # 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 4.213146504e+02 4.213146504e+02 1.30 3.903331999e+02 3.903331999e+02 1.32 3.616569480e+02 3.616569480e+02 1.34 3.351013174e+02 3.351013174e+02 1.36 3.105002795e+02 3.105002795e+02 1.38 2.877030224e+02 2.877030224e+02 1.40 2.665711629e+02 2.665711629e+02 1.42 2.469765844e+02 2.469765844e+02 1.44 2.288004388e+02 2.288004388e+02 1.46 2.119330170e+02 2.119330170e+02 1.48 1.962734940e+02 1.962734940e+02 1.50 1.817292187e+02 1.817292187e+02 1.52 1.682149253e+02 1.682149253e+02 1.54 1.556521149e+02 1.556521149e+02 1.56 1.439685235e+02 1.439685235e+02 1.58 1.330975472e+02 1.330975472e+02 1.60 1.229777366e+02 1.229777366e+02 1.62 1.135525309e+02 1.135525309e+02 1.64 1.047701776e+02 1.047701776e+02 1.66 9.658356738e+01 9.658356738e+01 1.68 8.894983369e+01 8.894983369e+01 1.70 8.182987920e+01 8.182987920e+01 1.72 7.518831115e+01 7.518831115e+01 1.74 6.899216070e+01 6.899216070e+01 1.76 6.321121209e+01 6.321121209e+01 1.78 5.782655253e+01 5.782655253e+01 1.80 5.284271431e+01 5.284271431e+01 1.82 4.823647349e+01 4.823647349e+01 1.84 4.398329562e+01 4.398329562e+01 1.86 4.005961851e+01 4.005961851e+01 1.88 3.644240553e+01 3.644240553e+01 1.90 3.310905869e+01 3.310905869e+01 1.92 3.003767282e+01 3.003767282e+01 1.94 2.720745905e+01 2.720745905e+01 1.96 2.459911907e+01 2.459911907e+01 1.98 2.219501507e+01 2.219501507e+01 2.00 1.997912310e+01 1.997912310e+01 2.02 1.793684875e+01 1.793684875e+01 2.04 1.605480082e+01 1.605480082e+01 2.06 1.432058633e+01 1.432058633e+01 2.08 1.272265630e+01 1.272265630e+01 2.10 1.125021386e+01 1.125021386e+01 2.12 9.893180219e+00 9.893180219e+00 2.14 8.642207776e+00 8.642207776e+00 2.16 7.488715609e+00 7.488715609e+00 2.18 6.424919008e+00 6.424919008e+00 2.20 5.443832108e+00 5.443832108e+00 2.22 4.539231737e+00 4.539231737e+00 2.24 3.705588661e+00 3.705588661e+00 2.26 2.937978200e+00 2.937978200e+00 2.28 2.232052637e+00 2.232052637e+00 2.30 1.583818277e+00 1.583818277e+00 2.32 9.894746329e-01 9.894746329e-01 2.34 4.455102030e-01 4.455102030e-01 2.36 -5.136890798e-02 -5.136890798e-02 2.38 -5.042951619e-01 -5.042951619e-01 2.40 -9.162801930e-01 -9.162801930e-01 2.42 -1.290202851e+00 -1.290202851e+00 2.44 -1.628601595e+00 -1.628601595e+00 2.46 -1.933892866e+00 -1.933892866e+00 2.48 -2.208485973e+00 -2.208485973e+00 2.50 -2.454742646e+00 -2.454742646e+00 2.52 -2.674927741e+00 -2.674927741e+00 2.54 -2.871158222e+00 -2.871158222e+00 2.56 -3.045362104e+00 -3.045362104e+00 2.58 -3.199258060e+00 -3.199258060e+00 2.60 -3.334359396e+00 -3.334359396e+00 2.62 -3.451997583e+00 -3.451997583e+00 2.64 -3.553356424e+00 -3.553356424e+00 2.66 -3.639505477e+00 -3.639505477e+00 2.68 -3.711429159e+00 -3.711429159e+00 2.70 -3.770047220e+00 -3.770047220e+00 2.72 -3.816228025e+00 -3.816228025e+00 2.74 -3.850796434e+00 -3.850796434e+00 2.76 -3.874902045e+00 -3.874902045e+00 2.78 -3.889641930e+00 -3.889641930e+00 2.80 -3.895405433e+00 -3.895405433e+00 2.82 -3.892607701e+00 -3.892607701e+00 2.84 -3.881695632e+00 -3.881695632e+00 2.86 -3.863147177e+00 -3.863147177e+00 2.88 -3.837471290e+00 -3.837471290e+00 2.90 -3.805206156e+00 -3.805206156e+00 2.92 -3.766931833e+00 -3.766931833e+00 2.94 -3.723321309e+00 -3.723321309e+00 2.96 -3.675050299e+00 -3.675050299e+00 2.98 -3.622751556e+00 -3.622751556e+00 3.00 -3.567001291e+00 -3.567001291e+00 3.02 -3.508309134e+00 -3.508309134e+00 3.04 -3.447113127e+00 -3.447113127e+00 3.06 -3.383781426e+00 -3.383781426e+00 3.08 -3.318615225e+00 -3.318615225e+00 3.10 -3.251857451e+00 -3.251857451e+00 3.12 -3.183700827e+00 -3.183700827e+00 3.14 -3.114297442e+00 -3.114297442e+00 3.16 -3.043792651e+00 -3.043792651e+00 3.18 -2.972266205e+00 -2.972266205e+00 3.20 -2.899753388e+00 -2.899753388e+00 3.22 -2.826299245e+00 -2.826299245e+00 3.24 -2.751959892e+00 -2.751959892e+00 3.26 -2.676805293e+00 -2.676805293e+00 3.28 -2.600913296e+00 -2.600913296e+00 3.30 -2.524345581e+00 -2.524345581e+00 3.32 -2.447197119e+00 -2.447197119e+00 3.34 -2.369609465e+00 -2.369609465e+00 3.36 -2.291766895e+00 -2.291766895e+00 3.38 -2.213892539e+00 -2.213892539e+00 3.40 -2.136243519e+00 -2.136243519e+00 3.42 -2.059104747e+00 -2.059104747e+00 3.44 -1.982780390e+00 -1.982780390e+00 3.46 -1.907583947e+00 -1.907583947e+00 3.48 -1.833826654e+00 -1.833826654e+00 3.50 -1.761805321e+00 -1.761805321e+00 3.52 -1.691790544e+00 -1.691790544e+00 3.54 -1.624016376e+00 -1.624016376e+00 3.56 -1.558672352e+00 -1.558672352e+00 3.58 -1.495898492e+00 -1.495898492e+00 3.60 -1.435783504e+00 -1.435783504e+00 3.62 -1.378366038e+00 -1.378366038e+00 3.64 -1.323638526e+00 -1.323638526e+00 3.66 -1.271552943e+00 -1.271552943e+00 3.68 -1.222027756e+00 -1.222027756e+00 3.70 -1.174955350e+00 -1.174955350e+00 3.72 -1.130209351e+00 -1.130209351e+00 3.74 -1.087651390e+00 -1.087651390e+00 3.76 -1.047137033e+00 -1.047137033e+00 3.78 -1.008520716e+00 -1.008520716e+00 3.80 -9.716596692e-01 -9.716596692e-01 3.82 -9.364168500e-01 -9.364168500e-01 3.84 -9.026629977e-01 -9.026629977e-01 3.86 -8.702779378e-01 -8.702779378e-01 3.88 -8.391512931e-01 -8.391512931e-01 3.90 -8.091827673e-01 -8.091827673e-01 3.92 -7.802820386e-01 -7.802820386e-01 3.94 -7.523692357e-01 -7.523692357e-01 3.96 -7.253739695e-01 -7.253739695e-01 3.98 -6.992359362e-01 -6.992359362e-01 4.00 -6.739047698e-01 -6.739047698e-01 4.02 -6.493400389e-01 -6.493400389e-01 4.04 -6.255111035e-01 -6.255111035e-01 4.06 -6.023966975e-01 -6.023966975e-01 4.08 -5.799841134e-01 -5.799841134e-01 4.10 -5.582676475e-01 -5.582676475e-01 4.12 -5.372479435e-01 -5.372479435e-01 4.14 -5.169280590e-01 -5.169280590e-01 4.16 -4.973123119e-01 -4.973123119e-01 4.18 -4.784035466e-01 -4.784035466e-01 4.20 -4.602009829e-01 -4.602009829e-01 4.22 -4.426985361e-01 -4.426985361e-01 4.24 -4.258837572e-01 -4.258837572e-01 4.26 -4.097374440e-01 -4.097374440e-01 4.28 -3.942338746e-01 -3.942338746e-01 4.30 -3.793415415e-01 -3.793415415e-01 4.32 -3.650242183e-01 -3.650242183e-01 4.34 -3.512421916e-01 -3.512421916e-01 4.36 -3.379535093e-01 -3.379535093e-01 4.38 -3.251151411e-01 -3.251151411e-01 4.40 -3.126839913e-01 -3.126839913e-01 4.42 -3.006177443e-01 -3.006177443e-01 4.44 -2.888755579e-01 -2.888755579e-01 4.46 -2.774186349e-01 -2.774186349e-01 4.48 -2.662107186e-01 -2.662107186e-01 4.50 -2.552185551e-01 -2.552185551e-01 4.52 -2.444123603e-01 -2.444123603e-01 4.54 -2.337663198e-01 -2.337663198e-01 4.56 -2.232591338e-01 -2.232591338e-01 4.58 -2.128746004e-01 -2.128746004e-01 4.60 -2.026022147e-01 -2.026022147e-01 4.62 -1.924377341e-01 -1.924377341e-01 4.64 -1.823836474e-01 -1.823836474e-01 4.66 -1.724494670e-01 -1.724494670e-01 4.68 -1.626517581e-01 -1.626517581e-01 4.70 -1.530138243e-01 -1.530138243e-01 4.72 -1.435649910e-01 -1.435649910e-01 4.74 -1.343394599e-01 -1.343394599e-01 4.76 -1.253747622e-01 -1.253747622e-01 4.78 -1.167098898e-01 -1.167098898e-01 4.80 -1.083830358e-01 -1.083830358e-01 4.82 -1.004303381e-01 -1.004303381e-01 4.84 -9.288265743e-02 -9.288265743e-02 4.86 -8.576489317e-02 -8.576489317e-02 4.88 -7.909461097e-02 -7.909461097e-02 4.90 -7.288144384e-02 -7.288144384e-02 4.92 -6.712703532e-02 -6.712703532e-02 4.94 -6.182547892e-02 -6.182547892e-02 4.96 -5.696412717e-02 -5.696412717e-02 4.98 -5.252469438e-02 -5.252469438e-02 5.00 -4.848450405e-02 -4.848450405e-02 5.02 -4.481775250e-02 -4.481775250e-02 5.04 -4.149608461e-02 -4.149608461e-02 5.06 -3.849068677e-02 -3.849068677e-02 5.08 -3.577370105e-02 -3.577370105e-02 5.10 -3.331766127e-02 -3.331766127e-02 5.12 -3.109615876e-02 -3.109615876e-02 5.14 -2.908426383e-02 -2.908426383e-02 5.16 -2.725882070e-02 -2.725882070e-02 5.18 -2.559876602e-02 -2.559876602e-02 5.20 -2.408502158e-02 -2.408502158e-02 5.22 -2.270046634e-02 -2.270046634e-02 5.24 -2.142986374e-02 -2.142986374e-02 5.26 -2.025975507e-02 -2.025975507e-02 5.28 -1.917833359e-02 -1.917833359e-02 5.30 -1.817531027e-02 -1.817531027e-02 5.32 -1.724177793e-02 -1.724177793e-02 5.34 -1.637007781e-02 -1.637007781e-02 5.36 -1.555365669e-02 -1.555365669e-02 5.38 -1.478696748e-02 -1.478696748e-02 5.40 -1.406535091e-02 -1.406535091e-02 5.42 -1.338491087e-02 -1.338491087e-02 5.44 -1.274240358e-02 -1.274240358e-02 5.46 -1.213513036e-02 -1.213513036e-02 5.48 -1.156083483e-02 -1.156083483e-02 5.50 -1.101760603e-02 -1.101760603e-02 5.52 -1.050378975e-02 -1.050378975e-02 5.54 -1.001791022e-02 -1.001791022e-02 5.56 -9.558604525e-03 -9.558604525e-03 5.58 -9.124570998e-03 -9.124570998e-03 5.60 -8.714532186e-03 -8.714532186e-03 5.62 -8.327211703e-03 -8.327211703e-03 5.64 -7.961323385e-03 -7.961323385e-03 5.66 -7.615570399e-03 -7.615570399e-03 5.68 -7.288651570e-03 -7.288651570e-03 5.70 -6.979272198e-03 -6.979272198e-03 5.72 -6.686156915e-03 -6.686156915e-03 5.74 -6.408062604e-03 -6.408062604e-03 5.76 -6.143789989e-03 -6.143789989e-03 5.78 -5.892193043e-03 -5.892193043e-03 5.80 -5.652185860e-03 -5.652185860e-03 5.82 -5.422746990e-03 -5.422746990e-03 5.84 -5.202921514e-03 -5.202921514e-03 5.86 -4.991821266e-03 -4.991821266e-03 5.88 -4.788623685e-03 -4.788623685e-03 5.90 -4.592569786e-03 -4.592569786e-03 5.92 -4.402961687e-03 -4.402961687e-03 5.94 -4.219160108e-03 -4.219160108e-03 5.96 -4.040582129e-03 -4.040582129e-03 5.98 -3.866699489e-03 -3.866699489e-03 6.00 -3.697037573e-03 -3.697037573e-03