# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Au2NiPt # 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 2022-05-24 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 9.172705217e+02 9.172705217e+02 1.00 8.374920848e+02 8.374920848e+02 1.02 7.653353178e+02 7.653353178e+02 1.04 7.000177691e+02 7.000177691e+02 1.06 6.408391546e+02 6.408391546e+02 1.08 5.871768514e+02 5.871768514e+02 1.10 5.384768470e+02 5.384768470e+02 1.12 4.942373895e+02 4.942373895e+02 1.14 4.540137692e+02 4.540137692e+02 1.16 4.174111707e+02 4.174111707e+02 1.18 3.840729755e+02 3.840729755e+02 1.20 3.536777950e+02 3.536777950e+02 1.22 3.259383095e+02 3.259383095e+02 1.24 3.005970105e+02 3.005970105e+02 1.26 2.774223974e+02 2.774223974e+02 1.28 2.562070760e+02 2.562070760e+02 1.30 2.367651922e+02 2.367651922e+02 1.32 2.189288652e+02 2.189288652e+02 1.34 2.025472628e+02 2.025472628e+02 1.36 1.874859200e+02 1.874859200e+02 1.38 1.736237604e+02 1.736237604e+02 1.40 1.608514605e+02 1.608514605e+02 1.42 1.490717217e+02 1.490717217e+02 1.44 1.381952215e+02 1.381952215e+02 1.46 1.281421570e+02 1.281421570e+02 1.48 1.188401518e+02 1.188401518e+02 1.50 1.102247375e+02 1.102247375e+02 1.52 1.022379517e+02 1.022379517e+02 1.54 9.482661421e+01 9.482661421e+01 1.56 8.794324519e+01 8.794324519e+01 1.58 8.154507247e+01 8.154507247e+01 1.60 7.559275776e+01 7.559275776e+01 1.62 7.005134946e+01 7.005134946e+01 1.64 6.488763828e+01 6.488763828e+01 1.66 6.007279763e+01 6.007279763e+01 1.68 5.558041467e+01 5.558041467e+01 1.70 5.138612074e+01 5.138612074e+01 1.72 4.746713377e+01 4.746713377e+01 1.74 4.380426593e+01 4.380426593e+01 1.76 4.037903814e+01 4.037903814e+01 1.78 3.717466193e+01 3.717466193e+01 1.80 3.417544915e+01 3.417544915e+01 1.82 3.136706968e+01 3.136706968e+01 1.84 2.873642342e+01 2.873642342e+01 1.86 2.627128060e+01 2.627128060e+01 1.88 2.396538424e+01 2.396538424e+01 1.90 2.178320067e+01 2.178320067e+01 1.92 1.974866997e+01 1.974866997e+01 1.94 1.783704295e+01 1.783704295e+01 1.96 1.604291215e+01 1.604291215e+01 1.98 1.436110459e+01 1.436110459e+01 2.00 1.278649947e+01 1.278649947e+01 2.02 1.131413961e+01 1.131413961e+01 2.04 9.939186528e+00 9.939186528e+00 2.06 8.656766477e+00 8.656766477e+00 2.08 7.462224369e+00 7.462224369e+00 2.10 6.351247553e+00 6.351247553e+00 2.12 5.319744906e+00 5.319744906e+00 2.14 4.363442422e+00 4.363442422e+00 2.16 3.478874909e+00 3.478874909e+00 2.18 2.661458935e+00 2.661458935e+00 2.20 1.907450065e+00 1.907450065e+00 2.22 1.213114331e+00 1.213114331e+00 2.24 5.751605950e-01 5.751605950e-01 2.26 -9.627305907e-03 -9.627305907e-03 2.28 -5.443912934e-01 -5.443912934e-01 2.30 -1.031934011e+00 -1.031934011e+00 2.32 -1.475371724e+00 -1.475371724e+00 2.34 -1.877414903e+00 -1.877414903e+00 2.36 -2.240692184e+00 -2.240692184e+00 2.38 -2.567708822e+00 -2.567708822e+00 2.40 -2.860736978e+00 -2.860736978e+00 2.42 -3.122020477e+00 -3.122020477e+00 2.44 -3.353874662e+00 -3.353874662e+00 2.46 -3.558343251e+00 -3.558343251e+00 2.48 -3.737366151e+00 -3.737366151e+00 2.50 -3.892780753e+00 -3.892780753e+00 2.52 -4.026534090e+00 -4.026534090e+00 2.54 -4.140197826e+00 -4.140197826e+00 2.56 -4.235075618e+00 -4.235075618e+00 2.58 -4.312653850e+00 -4.312653850e+00 2.60 -4.374402293e+00 -4.374402293e+00 2.62 -4.421605341e+00 -4.421605341e+00 2.64 -4.455468158e+00 -4.455468158e+00 2.66 -4.477169976e+00 -4.477169976e+00 2.68 -4.487595671e+00 -4.487595671e+00 2.70 -4.487797109e+00 -4.487797109e+00 2.72 -4.478747713e+00 -4.478747713e+00 2.74 -4.461308445e+00 -4.461308445e+00 2.76 -4.436278030e+00 -4.436278030e+00 2.78 -4.404683803e+00 -4.404683803e+00 2.80 -4.367206564e+00 -4.367206564e+00 2.82 -4.324032335e+00 -4.324032335e+00 2.84 -4.275670089e+00 -4.275670089e+00 2.86 -4.222964226e+00 -4.222964226e+00 2.88 -4.166412353e+00 -4.166412353e+00 2.90 -4.106521050e+00 -4.106521050e+00 2.92 -4.044129124e+00 -4.044129124e+00 2.94 -3.979165692e+00 -3.979165692e+00 2.96 -3.911600248e+00 -3.911600248e+00 2.98 -3.842067215e+00 -3.842067215e+00 3.00 -3.770981253e+00 -3.770981253e+00 3.02 -3.698623410e+00 -3.698623410e+00 3.04 -3.625258788e+00 -3.625258788e+00 3.06 -3.550880205e+00 -3.550880205e+00 3.08 -3.475559181e+00 -3.475559181e+00 3.10 -3.399948040e+00 -3.399948040e+00 3.12 -3.324187362e+00 -3.324187362e+00 3.14 -3.248443903e+00 -3.248443903e+00 3.16 -3.172865198e+00 -3.172865198e+00 3.18 -3.097584704e+00 -3.097584704e+00 3.20 -3.022722885e+00 -3.022722885e+00 3.22 -2.948388192e+00 -2.948388192e+00 3.24 -2.874671703e+00 -2.874671703e+00 3.26 -2.801987784e+00 -2.801987784e+00 3.28 -2.730183229e+00 -2.730183229e+00 3.30 -2.659214058e+00 -2.659214058e+00 3.32 -2.589142256e+00 -2.589142256e+00 3.34 -2.520022840e+00 -2.520022840e+00 3.36 -2.451904260e+00 -2.451904260e+00 3.38 -2.384828438e+00 -2.384828438e+00 3.40 -2.318855757e+00 -2.318855757e+00 3.42 -2.254324803e+00 -2.254324803e+00 3.44 -2.190911591e+00 -2.190911591e+00 3.46 -2.128637782e+00 -2.128637782e+00 3.48 -2.067521586e+00 -2.067521586e+00 3.50 -2.007608084e+00 -2.007608084e+00 3.52 -1.948853823e+00 -1.948853823e+00 3.54 -1.891165324e+00 -1.891165324e+00 3.56 -1.834581008e+00 -1.834581008e+00 3.58 -1.779195261e+00 -1.779195261e+00 3.60 -1.725014741e+00 -1.725014741e+00 3.62 -1.671997418e+00 -1.671997418e+00 3.64 -1.620116618e+00 -1.620116618e+00 3.66 -1.569370151e+00 -1.569370151e+00 3.68 -1.519762508e+00 -1.519762508e+00 3.70 -1.471292726e+00 -1.471292726e+00 3.72 -1.423940809e+00 -1.423940809e+00 3.74 -1.377692778e+00 -1.377692778e+00 3.76 -1.332557937e+00 -1.332557937e+00 3.78 -1.288546910e+00 -1.288546910e+00 3.80 -1.245660679e+00 -1.245660679e+00 3.82 -1.203860473e+00 -1.203860473e+00 3.84 -1.163134969e+00 -1.163134969e+00 3.86 -1.123484156e+00 -1.123484156e+00 3.88 -1.084898234e+00 -1.084898234e+00 3.90 -1.047350887e+00 -1.047350887e+00 3.92 -1.010681440e+00 -1.010681440e+00 3.94 -9.749375256e-01 -9.749375256e-01 3.96 -9.401954740e-01 -9.401954740e-01 3.98 -9.064784235e-01 -9.064784235e-01 4.00 -8.737959439e-01 -8.737959439e-01 4.02 -8.421200273e-01 -8.421200273e-01 4.04 -8.115131479e-01 -8.115131479e-01 4.06 -7.821519980e-01 -7.821519980e-01 4.08 -7.538966513e-01 -7.538966513e-01 4.10 -7.265743143e-01 -7.265743143e-01 4.12 -7.000733877e-01 -7.000733877e-01 4.14 -6.743296697e-01 -6.743296697e-01 4.16 -6.493242233e-01 -6.493242233e-01 4.18 -6.252757060e-01 -6.252757060e-01 4.20 -6.015676728e-01 -6.015676728e-01 4.22 -5.780896636e-01 -5.780896636e-01 4.24 -5.547666630e-01 -5.547666630e-01 4.26 -5.315585383e-01 -5.315585383e-01 4.28 -5.084032053e-01 -5.084032053e-01 4.30 -4.853183485e-01 -4.853183485e-01 4.32 -4.624122126e-01 -4.624122126e-01 4.34 -4.397770407e-01 -4.397770407e-01 4.36 -4.174903160e-01 -4.174903160e-01 4.38 -3.955941320e-01 -3.955941320e-01 4.40 -3.741160300e-01 -3.741160300e-01 4.42 -3.531472066e-01 -3.531472066e-01 4.44 -3.327842973e-01 -3.327842973e-01 4.46 -3.130979743e-01 -3.130979743e-01 4.48 -2.941375914e-01 -2.941375914e-01 4.50 -2.759350911e-01 -2.759350911e-01 4.52 -2.585082875e-01 -2.585082875e-01 4.54 -2.418636190e-01 -2.418636190e-01 4.56 -2.259983517e-01 -2.259983517e-01 4.58 -2.108941768e-01 -2.108941768e-01 4.60 -1.967793148e-01 -1.967793148e-01 4.62 -1.836111109e-01 -1.836111109e-01 4.64 -1.711204976e-01 -1.711204976e-01 4.66 -1.592911407e-01 -1.592911407e-01 4.68 -1.480970945e-01 -1.480970945e-01 4.70 -1.375116933e-01 -1.375116933e-01 4.72 -1.275079900e-01 -1.275079900e-01 4.74 -1.180590801e-01 -1.180590801e-01 4.76 -1.091383582e-01 -1.091383582e-01 4.78 -1.007232530e-01 -1.007232530e-01 4.80 -9.278180025e-02 -9.278180025e-02 4.82 -8.643116627e-02 -8.643116627e-02 4.84 -8.056246005e-02 -8.056246005e-02 4.86 -7.502227893e-02 -7.502227893e-02 4.88 -6.979358851e-02 -6.979358851e-02 4.90 -6.485996708e-02 -6.485996708e-02 4.92 -6.020568530e-02 -6.020568530e-02 4.94 -5.581570794e-02 -5.581570794e-02 4.96 -5.167568819e-02 -5.167568819e-02 4.98 -4.777195694e-02 -4.777195694e-02 5.00 -4.409150795e-02 -4.409150795e-02 5.02 -4.062198040e-02 -4.062198040e-02 5.04 -3.735163884e-02 -3.735163884e-02 5.06 -3.426935082e-02 -3.426935082e-02 5.08 -3.136456412e-02 -3.136456412e-02 5.10 -2.862728319e-02 -2.862728319e-02 5.12 -2.604804563e-02 -2.604804563e-02 5.14 -2.361789821e-02 -2.361789821e-02 5.16 -2.132837312e-02 -2.132837312e-02 5.18 -1.917146483e-02 -1.917146483e-02 5.20 -1.713960753e-02 -1.713960753e-02 5.22 -1.522565331e-02 -1.522565331e-02 5.24 -1.342285063e-02 -1.342285063e-02 5.26 -1.172481068e-02 -1.172481068e-02 5.28 -1.012637632e-02 -1.012637632e-02 5.30 -8.640605889e-03 -8.640605889e-03 5.32 -7.660071995e-03 -7.660071995e-03 5.34 -6.751978388e-03 -6.751978388e-03 5.36 -5.901763761e-03 -5.901763761e-03 5.38 -5.102863446e-03 -5.102863446e-03 5.40 -4.352257335e-03 -4.352257335e-03 5.42 -3.647098655e-03 -3.647098655e-03 5.44 -2.984704272e-03 -2.984704272e-03 5.46 -2.362545552e-03 -2.362545552e-03 5.48 -1.778239732e-03 -1.778239732e-03 5.50 -1.229541753e-03 -1.229541753e-03 5.52 -7.143364260e-04 -7.143364260e-04 5.54 -2.275266527e-04 -2.275266527e-04 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