# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ni-Al # implementation = 2025--Sharifi-H--Cu-Ni-Al--LAMMPS--ipr1 # composition = AlCu2Ni # 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 2025-07-01 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 5.311947306e+02 5.311947306e+02 1.00 5.000499052e+02 5.000499052e+02 1.02 4.694403333e+02 4.694403333e+02 1.04 4.393830955e+02 4.393830955e+02 1.06 4.099621178e+02 4.099621178e+02 1.08 3.812952042e+02 3.812952042e+02 1.10 3.535110954e+02 3.535110954e+02 1.12 3.267341382e+02 3.267341382e+02 1.14 3.010746040e+02 3.010746040e+02 1.16 2.766231637e+02 2.766231637e+02 1.18 2.534483463e+02 2.534483463e+02 1.20 2.315960787e+02 2.315960787e+02 1.22 2.110906375e+02 2.110906375e+02 1.24 1.919364835e+02 1.919364835e+02 1.26 1.741206138e+02 1.741206138e+02 1.28 1.576151511e+02 1.576151511e+02 1.30 1.423799710e+02 1.423799710e+02 1.32 1.283652432e+02 1.283652432e+02 1.34 1.155137937e+02 1.155137937e+02 1.36 1.037632367e+02 1.037632367e+02 1.38 9.304785467e+01 9.304785467e+01 1.40 8.330021437e+01 8.330021437e+01 1.42 7.445252713e+01 7.445252713e+01 1.44 6.643776731e+01 6.643776731e+01 1.46 5.919055970e+01 5.919055970e+01 1.48 5.264787628e+01 5.264787628e+01 1.50 4.674956692e+01 4.674956692e+01 1.52 4.143872622e+01 4.143872622e+01 1.54 3.666192983e+01 3.666192983e+01 1.56 3.236936238e+01 3.236936238e+01 1.58 2.851485741e+01 2.851485741e+01 1.60 2.505586593e+01 2.505586593e+01 1.62 2.195335745e+01 2.195335745e+01 1.64 1.917168536e+01 1.917168536e+01 1.66 1.667842864e+01 1.667842864e+01 1.68 1.444421240e+01 1.444421240e+01 1.70 1.244251392e+01 1.244251392e+01 1.72 1.064946117e+01 1.064946117e+01 1.74 9.043629965e+00 9.043629965e+00 1.76 7.605842614e+00 7.605842614e+00 1.78 6.318972022e+00 6.318972022e+00 1.80 5.167751471e+00 5.167751471e+00 1.82 4.138558051e+00 4.138558051e+00 1.84 3.219152514e+00 3.219152514e+00 1.86 2.398477076e+00 2.398477076e+00 1.88 1.666538567e+00 1.666538567e+00 1.90 1.014309601e+00 1.014309601e+00 1.92 4.336386635e-01 4.336386635e-01 1.94 -8.283163127e-02 -8.283163127e-02 1.96 -5.417386420e-01 -5.417386420e-01 1.98 -9.490671953e-01 -9.490671953e-01 2.00 -1.310210857e+00 -1.310210857e+00 2.02 -1.630027534e+00 -1.630027534e+00 2.04 -1.912881911e+00 -1.912881911e+00 2.06 -2.162633680e+00 -2.162633680e+00 2.08 -2.382728004e+00 -2.382728004e+00 2.10 -2.576271009e+00 -2.576271009e+00 2.12 -2.746061631e+00 -2.746061631e+00 2.14 -2.894620346e+00 -2.894620346e+00 2.16 -3.024215381e+00 -3.024215381e+00 2.18 -3.136886514e+00 -3.136886514e+00 2.20 -3.234466596e+00 -3.234466596e+00 2.22 -3.318601235e+00 -3.318601235e+00 2.24 -3.390770444e+00 -3.390770444e+00 2.26 -3.452309301e+00 -3.452309301e+00 2.28 -3.504413060e+00 -3.504413060e+00 2.30 -3.548079148e+00 -3.548079148e+00 2.32 -3.584036884e+00 -3.584036884e+00 2.34 -3.612932891e+00 -3.612932891e+00 2.36 -3.635364934e+00 -3.635364934e+00 2.38 -3.651885518e+00 -3.651885518e+00 2.40 -3.663005216e+00 -3.663005216e+00 2.42 -3.669195766e+00 -3.669195766e+00 2.44 -3.670892937e+00 -3.670892937e+00 2.46 -3.668499195e+00 -3.668499195e+00 2.48 -3.662386704e+00 -3.662386704e+00 2.50 -3.652899510e+00 -3.652899510e+00 2.52 -3.640355078e+00 -3.640355078e+00 2.54 -3.625046234e+00 -3.625046234e+00 2.56 -3.607242990e+00 -3.607242990e+00 2.58 -3.587194229e+00 -3.587194229e+00 2.60 -3.565129277e+00 -3.565129277e+00 2.62 -3.541259353e+00 -3.541259353e+00 2.64 -3.515778916e+00 -3.515778916e+00 2.66 -3.488866914e+00 -3.488866914e+00 2.68 -3.460687939e+00 -3.460687939e+00 2.70 -3.431393300e+00 -3.431393300e+00 2.72 -3.401122022e+00 -3.401122022e+00 2.74 -3.370001760e+00 -3.370001760e+00 2.76 -3.338149660e+00 -3.338149660e+00 2.78 -3.305673148e+00 -3.305673148e+00 2.80 -3.272670665e+00 -3.272670665e+00 2.82 -3.239232349e+00 -3.239232349e+00 2.84 -3.205440663e+00 -3.205440663e+00 2.86 -3.171370982e+00 -3.171370982e+00 2.88 -3.137092134e+00 -3.137092134e+00 2.90 -3.102666902e+00 -3.102666902e+00 2.92 -3.068152491e+00 -3.068152491e+00 2.94 -3.033600954e+00 -3.033600954e+00 2.96 -2.999059599e+00 -2.999059599e+00 2.98 -2.964571351e+00 -2.964571351e+00 3.00 -2.930175100e+00 -2.930175100e+00 3.02 -2.895896409e+00 -2.895896409e+00 3.04 -2.861646723e+00 -2.861646723e+00 3.06 -2.827407529e+00 -2.827407529e+00 3.08 -2.793697420e+00 -2.793697420e+00 3.10 -2.760230229e+00 -2.760230229e+00 3.12 -2.727020110e+00 -2.727020110e+00 3.14 -2.694085348e+00 -2.694085348e+00 3.16 -2.661442157e+00 -2.661442157e+00 3.18 -2.629104856e+00 -2.629104856e+00 3.20 -2.597086019e+00 -2.597086019e+00 3.22 -2.565396630e+00 -2.565396630e+00 3.24 -2.534046209e+00 -2.534046209e+00 3.26 -2.503042941e+00 -2.503042941e+00 3.28 -2.472393790e+00 -2.472393790e+00 3.30 -2.442104604e+00 -2.442104604e+00 3.32 -2.412180213e+00 -2.412180213e+00 3.34 -2.382624521e+00 -2.382624521e+00 3.36 -2.353440585e+00 -2.353440585e+00 3.38 -2.324630694e+00 -2.324630694e+00 3.40 -2.296196442e+00 -2.296196442e+00 3.42 -2.268138786e+00 -2.268138786e+00 3.44 -2.240458111e+00 -2.240458111e+00 3.46 -2.213154284e+00 -2.213154284e+00 3.48 -2.186226703e+00 -2.186226703e+00 3.50 -2.159674343e+00 -2.159674343e+00 3.52 -2.133495800e+00 -2.133495800e+00 3.54 -2.107689326e+00 -2.107689326e+00 3.56 -2.082252869e+00 -2.082252869e+00 3.58 -2.057184103e+00 -2.057184103e+00 3.60 -2.032480457e+00 -2.032480457e+00 3.62 -2.008139141e+00 -2.008139141e+00 3.64 -1.984157175e+00 -1.984157175e+00 3.66 -1.960531403e+00 -1.960531403e+00 3.68 -1.937258523e+00 -1.937258523e+00 3.70 -1.914335095e+00 -1.914335095e+00 3.72 -1.891757564e+00 -1.891757564e+00 3.74 -1.869522273e+00 -1.869522273e+00 3.76 -1.847625474e+00 -1.847625474e+00 3.78 -1.826063341e+00 -1.826063341e+00 3.80 -1.804831980e+00 -1.804831980e+00 3.82 -1.783927438e+00 -1.783927438e+00 3.84 -1.763345710e+00 -1.763345710e+00 3.86 -1.743082746e+00 -1.743082746e+00 3.88 -1.723134457e+00 -1.723134457e+00 3.90 -1.703496719e+00 -1.703496719e+00 3.92 -1.684165377e+00 -1.684165377e+00 3.94 -1.665136248e+00 -1.665136248e+00 3.96 -1.646405123e+00 -1.646405123e+00 3.98 -1.627967771e+00 -1.627967771e+00 4.00 -1.609819934e+00 -1.609819934e+00 4.02 -1.591957334e+00 -1.591957334e+00 4.04 -1.574375669e+00 -1.574375669e+00 4.06 -1.557070613e+00 -1.557070613e+00 4.08 -1.540037816e+00 -1.540037816e+00 4.10 -1.523272901e+00 -1.523272901e+00 4.12 -1.506771463e+00 -1.506771463e+00 4.14 -1.490529065e+00 -1.490529065e+00 4.16 -1.474541241e+00 -1.474541241e+00 4.18 -1.458803487e+00 -1.458803487e+00 4.20 -1.443311262e+00 -1.443311262e+00 4.22 -1.428059984e+00 -1.428059984e+00 4.24 -1.413045027e+00 -1.413045027e+00 4.26 -1.398297077e+00 -1.398297077e+00 4.28 -1.384554965e+00 -1.384554965e+00 4.30 -1.373933399e+00 -1.373933399e+00 4.32 -1.367065887e+00 -1.367065887e+00 4.34 -1.355426121e+00 -1.355426121e+00 4.36 -1.341850332e+00 -1.341850332e+00 4.38 -1.328450734e+00 -1.328450734e+00 4.40 -1.315222866e+00 -1.315222866e+00 4.42 -1.302162220e+00 -1.302162220e+00 4.44 -1.289264247e+00 -1.289264247e+00 4.46 -1.276524360e+00 -1.276524360e+00 4.48 -1.263937938e+00 -1.263937938e+00 4.50 -1.251500330e+00 -1.251500330e+00 4.52 -1.239206863e+00 -1.239206863e+00 4.54 -1.227052847e+00 -1.227052847e+00 4.56 -1.215033584e+00 -1.215033584e+00 4.58 -1.203144376e+00 -1.203144376e+00 4.60 -1.191380535e+00 -1.191380535e+00 4.62 -1.179737393e+00 -1.179737393e+00 4.64 -1.168210313e+00 -1.168210313e+00 4.66 -1.156794701e+00 -1.156794701e+00 4.68 -1.145486023e+00 -1.145486023e+00 4.70 -1.134279812e+00 -1.134279812e+00 4.72 -1.123171686e+00 -1.123171686e+00 4.74 -1.112157364e+00 -1.112157364e+00 4.76 -1.101232677e+00 -1.101232677e+00 4.78 -1.090393590e+00 -1.090393590e+00 4.80 -1.079636208e+00 -1.079636208e+00 4.82 -1.068956799e+00 -1.068956799e+00 4.84 -1.058351808e+00 -1.058351808e+00 4.86 -1.047817868e+00 -1.047817868e+00 4.88 -1.037351816e+00 -1.037351816e+00 4.90 -1.026950707e+00 -1.026950707e+00 4.92 -1.014329410e+00 -1.014329410e+00 4.94 -9.702380914e-01 -9.702380914e-01 4.96 -8.170243503e-01 -8.170243503e-01 4.98 -4.513917433e-01 -4.513917433e-01 5.00 -2.932231146e-22 -2.929787276e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00