# 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 = AuCoW2 # 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 3.618602424e+02 3.618602424e+02 1.30 3.342129678e+02 3.342129678e+02 1.32 3.086958014e+02 3.086958014e+02 1.34 2.851245325e+02 2.851245325e+02 1.36 2.633340444e+02 2.633340444e+02 1.38 2.431776418e+02 2.431776418e+02 1.40 2.245254822e+02 2.245254822e+02 1.42 2.072614893e+02 2.072614893e+02 1.44 1.912797683e+02 1.912797683e+02 1.46 1.764819264e+02 1.764819264e+02 1.48 1.627760731e+02 1.627760731e+02 1.50 1.500772173e+02 1.500772173e+02 1.52 1.383079232e+02 1.383079232e+02 1.54 1.273982848e+02 1.273982848e+02 1.56 1.172851497e+02 1.172851497e+02 1.58 1.079109663e+02 1.079109663e+02 1.60 9.922257971e+01 9.922257971e+01 1.62 9.117018063e+01 9.117018063e+01 1.64 8.370653915e+01 8.370653915e+01 1.66 7.678663048e+01 7.678663048e+01 1.68 7.036770511e+01 7.036770511e+01 1.70 6.440970479e+01 6.440970479e+01 1.72 5.887578133e+01 5.887578133e+01 1.74 5.373270189e+01 5.373270189e+01 1.76 4.895105073e+01 4.895105073e+01 1.78 4.450518634e+01 4.450518634e+01 1.80 4.037290341e+01 4.037290341e+01 1.82 3.653480430e+01 3.653480430e+01 1.84 3.297377811e+01 3.297377811e+01 1.86 2.967482701e+01 2.967482701e+01 1.88 2.662261022e+01 2.662261022e+01 1.90 2.381047350e+01 2.381047350e+01 1.92 2.122849077e+01 2.122849077e+01 1.94 1.885988984e+01 1.885988984e+01 1.96 1.668823988e+01 1.668823988e+01 1.98 1.469784462e+01 1.469784462e+01 2.00 1.287387103e+01 1.287387103e+01 2.02 1.120245339e+01 1.120245339e+01 2.04 9.670718938e+00 9.670718938e+00 2.06 8.266722081e+00 8.266722081e+00 2.08 6.979332073e+00 6.979332073e+00 2.10 5.798141463e+00 5.798141463e+00 2.12 4.713440877e+00 4.713440877e+00 2.14 3.716264111e+00 3.716264111e+00 2.16 2.798472372e+00 2.798472372e+00 2.18 1.952831219e+00 1.952831219e+00 2.20 1.173039829e+00 1.173039829e+00 2.22 4.536935082e-01 4.536935082e-01 2.24 -2.098147443e-01 -2.098147443e-01 2.26 -8.214303419e-01 -8.214303419e-01 2.28 -1.384582799e+00 -1.384582799e+00 2.30 -1.902318233e+00 -1.902318233e+00 2.32 -2.377405678e+00 -2.377405678e+00 2.34 -2.812413440e+00 -2.812413440e+00 2.36 -3.209758147e+00 -3.209758147e+00 2.38 -3.571732396e+00 -3.571732396e+00 2.40 -3.900517670e+00 -3.900517670e+00 2.42 -4.198188522e+00 -4.198188522e+00 2.44 -4.466667633e+00 -4.466667633e+00 2.46 -4.707668331e+00 -4.707668331e+00 2.48 -4.923112825e+00 -4.923112825e+00 2.50 -5.114829184e+00 -5.114829184e+00 2.52 -5.284519953e+00 -5.284519953e+00 2.54 -5.433774367e+00 -5.433774367e+00 2.56 -5.564078347e+00 -5.564078347e+00 2.58 -5.676819320e+00 -5.676819320e+00 2.60 -5.773091266e+00 -5.773091266e+00 2.62 -5.853345620e+00 -5.853345620e+00 2.64 -5.917966988e+00 -5.917966988e+00 2.66 -5.967374661e+00 -5.967374661e+00 2.68 -6.002002840e+00 -6.002002840e+00 2.70 -6.022292147e+00 -6.022292147e+00 2.72 -6.028690130e+00 -6.028690130e+00 2.74 -6.021656509e+00 -6.021656509e+00 2.76 -6.001669287e+00 -6.001669287e+00 2.78 -5.969229679e+00 -5.969229679e+00 2.80 -5.924879424e+00 -5.924879424e+00 2.82 -5.869208952e+00 -5.869208952e+00 2.84 -5.802775349e+00 -5.802775349e+00 2.86 -5.726183813e+00 -5.726183813e+00 2.88 -5.640104160e+00 -5.640104160e+00 2.90 -5.545281555e+00 -5.545281555e+00 2.92 -5.442546160e+00 -5.442546160e+00 2.94 -5.332849003e+00 -5.332849003e+00 2.96 -5.217245466e+00 -5.217245466e+00 2.98 -5.096696331e+00 -5.096696331e+00 3.00 -4.972182686e+00 -4.972182686e+00 3.02 -4.844723178e+00 -4.844723178e+00 3.04 -4.715327585e+00 -4.715327585e+00 3.06 -4.584945516e+00 -4.584945516e+00 3.08 -4.454418705e+00 -4.454418705e+00 3.10 -4.324439325e+00 -4.324439325e+00 3.12 -4.195520504e+00 -4.195520504e+00 3.14 -4.067997370e+00 -4.067997370e+00 3.16 -3.942036173e+00 -3.942036173e+00 3.18 -3.817654184e+00 -3.817654184e+00 3.20 -3.694748227e+00 -3.694748227e+00 3.22 -3.573127785e+00 -3.573127785e+00 3.24 -3.452549250e+00 -3.452549250e+00 3.26 -3.332748946e+00 -3.332748946e+00 3.28 -3.213473485e+00 -3.213473485e+00 3.30 -3.094506756e+00 -3.094506756e+00 3.32 -2.975693164e+00 -2.975693164e+00 3.34 -2.856956816e+00 -2.856956816e+00 3.36 -2.738316138e+00 -2.738316138e+00 3.38 -2.619893213e+00 -2.619893213e+00 3.40 -2.501916959e+00 -2.501916959e+00 3.42 -2.384719313e+00 -2.384719313e+00 3.44 -2.268723968e+00 -2.268723968e+00 3.46 -2.154427813e+00 -2.154427813e+00 3.48 -2.042376094e+00 -2.042376094e+00 3.50 -1.933133161e+00 -1.933133161e+00 3.52 -1.827251394e+00 -1.827251394e+00 3.54 -1.725241241e+00 -1.725241241e+00 3.56 -1.627545186e+00 -1.627545186e+00 3.58 -1.534517907e+00 -1.534517907e+00 3.60 -1.446413980e+00 -1.446413980e+00 3.62 -1.363383469e+00 -1.363383469e+00 3.64 -1.285474773e+00 -1.285474773e+00 3.66 -1.212643394e+00 -1.212643394e+00 3.68 -1.144764875e+00 -1.144764875e+00 3.70 -1.081650080e+00 -1.081650080e+00 3.72 -1.023061162e+00 -1.023061162e+00 3.74 -9.687268950e-01 -9.687268950e-01 3.76 -9.183564443e-01 -9.183564443e-01 3.78 -8.716510442e-01 -8.716510442e-01 3.80 -8.283133799e-01 -8.283133799e-01 3.82 -7.880547123e-01 -7.880547123e-01 3.84 -7.505999514e-01 -7.505999514e-01 3.86 -7.156909684e-01 -7.156909684e-01 3.88 -6.830884704e-01 -6.830884704e-01 3.90 -6.525727559e-01 -6.525727559e-01 3.92 -6.239436374e-01 -6.239436374e-01 3.94 -5.970197815e-01 -5.970197815e-01 3.96 -5.716376665e-01 -5.716376665e-01 3.98 -5.476503266e-01 -5.476503266e-01 4.00 -5.249260040e-01 -5.249260040e-01 4.02 -5.033468080e-01 -5.033468080e-01 4.04 -4.828074483e-01 -4.828074483e-01 4.06 -4.632140956e-01 -4.632140956e-01 4.08 -4.444833975e-01 -4.444833975e-01 4.10 -4.265416688e-01 -4.265416688e-01 4.12 -4.093242622e-01 -4.093242622e-01 4.14 -3.927750846e-01 -3.927750846e-01 4.16 -3.768462533e-01 -3.768462533e-01 4.18 -3.614978142e-01 -3.614978142e-01 4.20 -3.466974617e-01 -3.466974617e-01 4.22 -3.324201686e-01 -3.324201686e-01 4.24 -3.186476411e-01 -3.186476411e-01 4.26 -3.053675237e-01 -3.053675237e-01 4.28 -2.925723164e-01 -2.925723164e-01 4.30 -2.802580172e-01 -2.802580172e-01 4.32 -2.684225686e-01 -2.684225686e-01 4.34 -2.570642358e-01 -2.570642358e-01 4.36 -2.461800794e-01 -2.461800794e-01 4.38 -2.357645554e-01 -2.357645554e-01 4.40 -2.258087641e-01 -2.258087641e-01 4.42 -2.163002525e-01 -2.163002525e-01 4.44 -2.072226139e-01 -2.072226139e-01 4.46 -1.985558296e-01 -1.985558296e-01 4.48 -1.902768172e-01 -1.902768172e-01 4.50 -1.823601469e-01 -1.823601469e-01 4.52 -1.747791473e-01 -1.747791473e-01 4.54 -1.675063348e-01 -1.675063348e-01 4.56 -1.605140444e-01 -1.605140444e-01 4.58 -1.537749711e-01 -1.537749711e-01 4.60 -1.472625913e-01 -1.472625913e-01 4.62 -1.409514831e-01 -1.409514831e-01 4.64 -1.348175714e-01 -1.348175714e-01 4.66 -1.288383272e-01 -1.288383272e-01 4.68 -1.229929512e-01 -1.229929512e-01 4.70 -1.172625647e-01 -1.172625647e-01 4.72 -1.116304284e-01 -1.116304284e-01 4.74 -1.060822009e-01 -1.060822009e-01 4.76 -1.006062388e-01 -1.006062388e-01 4.78 -9.519393136e-02 -9.519393136e-02 4.80 -8.984004941e-02 -8.984004941e-02 4.82 -8.454308005e-02 -8.454308005e-02 4.84 -7.930549552e-02 -7.930549552e-02 4.86 -7.413391543e-02 -7.413391543e-02 4.88 -6.903909819e-02 -6.903909819e-02 4.90 -6.403571457e-02 -6.403571457e-02 4.92 -5.914186687e-02 -5.914186687e-02 4.94 -5.437834324e-02 -5.437834324e-02 4.96 -4.976762963e-02 -4.976762963e-02 4.98 -4.533273842e-02 -4.533273842e-02 5.00 -4.109594471e-02 -4.109594471e-02 5.02 -3.707754185e-02 -3.707754185e-02 5.04 -3.329473177e-02 -3.329473177e-02 5.06 -2.976074920e-02 -2.976074920e-02 5.08 -2.648428982e-02 -2.648428982e-02 5.10 -2.346927343e-02 -2.346927343e-02 5.12 -2.071492821e-02 -2.071492821e-02 5.14 -1.821615139e-02 -1.821615139e-02 5.16 -1.596378180e-02 -1.596378180e-02 5.18 -1.394586476e-02 -1.394586476e-02 5.20 -1.214842355e-02 -1.214842355e-02 5.22 -1.055580343e-02 -1.055580343e-02 5.24 -9.151396195e-03 -9.151396195e-03 5.26 -7.918265478e-03 -7.918265478e-03 5.28 -6.839657465e-03 -6.839657465e-03 5.30 -5.899395091e-03 -5.899395091e-03 5.32 -5.082162899e-03 -5.082162899e-03 5.34 -4.373695582e-03 -4.373695582e-03 5.36 -3.760885908e-03 -3.760885908e-03 5.38 -3.231828317e-03 -3.231828317e-03 5.40 -2.775813526e-03 -2.775813526e-03 5.42 -2.383287714e-03 -2.383287714e-03 5.44 -2.045787709e-03 -2.045787709e-03 5.46 -1.755861370e-03 -1.755861370e-03 5.48 -1.506980299e-03 -1.506980299e-03 5.50 -1.293450177e-03 -1.293450177e-03 5.52 -1.110322535e-03 -1.110322535e-03 5.54 -9.533104999e-04 -9.533104999e-04 5.56 -8.187101290e-04 -8.187101290e-04 5.58 -7.033282199e-04 -7.033282199e-04 5.60 -6.044169568e-04 -6.044169568e-04 5.62 -5.196153873e-04 -5.196153873e-04 5.64 -4.468974791e-04 -4.468974791e-04 5.66 -3.845263492e-04 -3.845263492e-04 5.68 -3.310141735e-04 -3.310141735e-04 5.70 -2.850872456e-04 -2.850872456e-04 5.72 -2.456556492e-04 -2.456556492e-04 5.74 -2.117870239e-04 -2.117870239e-04 5.76 -1.826839376e-04 -1.826839376e-04 5.78 -1.576644146e-04 -1.576644146e-04 5.80 -1.361452127e-04 -1.361452127e-04 5.82 -1.176274838e-04 -1.176274838e-04 5.84 -1.016844938e-04 -1.016844938e-04 5.86 -8.795111773e-05 -8.795111773e-05 5.88 -7.611486004e-05 -7.611486004e-05 5.90 -6.590818413e-05 -6.590818413e-05 5.92 -5.710196276e-05 -5.710196276e-05 5.94 -4.949988762e-05 -4.949988762e-05 5.96 -4.293369850e-05 -4.293369850e-05 5.98 -3.725911226e-05 -3.725911226e-05 6.00 -3.235234906e-05 -3.235234906e-05