# 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 = PdWZr2 # 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 4.415915917e+02 4.415915917e+02 1.30 4.105749342e+02 4.105749342e+02 1.32 3.817942502e+02 3.817942502e+02 1.34 3.550814343e+02 3.550814343e+02 1.36 3.302826225e+02 3.302826225e+02 1.38 3.072542514e+02 3.072542514e+02 1.40 2.858607690e+02 2.858607690e+02 1.42 2.659743931e+02 2.659743931e+02 1.44 2.474762096e+02 2.474762096e+02 1.46 2.302571006e+02 2.302571006e+02 1.48 2.142178225e+02 2.142178225e+02 1.50 1.992685475e+02 1.992685475e+02 1.52 1.853282565e+02 1.853282565e+02 1.54 1.723238702e+02 1.723238702e+02 1.56 1.601892963e+02 1.601892963e+02 1.58 1.488644117e+02 1.488644117e+02 1.60 1.382941399e+02 1.382941399e+02 1.62 1.284276226e+02 1.284276226e+02 1.64 1.192176595e+02 1.192176595e+02 1.66 1.106202997e+02 1.106202997e+02 1.68 1.025945916e+02 1.025945916e+02 1.70 9.510242250e+01 9.510242250e+01 1.72 8.810825735e+01 8.810825735e+01 1.74 8.157882763e+01 8.157882763e+01 1.76 7.548284726e+01 7.548284726e+01 1.78 6.979084140e+01 6.979084140e+01 1.80 6.447503909e+01 6.447503909e+01 1.82 5.950928769e+01 5.950928769e+01 1.84 5.486901469e+01 5.486901469e+01 1.86 5.053132969e+01 5.053132969e+01 1.88 4.647512037e+01 4.647512037e+01 1.90 4.268108428e+01 4.268108428e+01 1.92 3.913164922e+01 3.913164922e+01 1.94 3.581076772e+01 3.581076772e+01 1.96 3.270370673e+01 3.270370673e+01 1.98 2.979685524e+01 2.979685524e+01 2.00 2.707855132e+01 2.707855132e+01 2.02 2.453750128e+01 2.453750128e+01 2.04 2.216425532e+01 2.216425532e+01 2.06 1.995734750e+01 1.995734750e+01 2.08 1.790659899e+01 1.790659899e+01 2.10 1.600095079e+01 1.600095079e+01 2.12 1.422989831e+01 1.422989831e+01 2.14 1.258355182e+01 1.258355182e+01 2.16 1.105271291e+01 1.105271291e+01 2.18 9.628927994e+00 9.628927994e+00 2.20 8.304518617e+00 8.304518617e+00 2.22 7.072541756e+00 7.072541756e+00 2.24 5.926728033e+00 5.926728033e+00 2.26 4.861411966e+00 4.861411966e+00 2.28 3.871452305e+00 3.871452305e+00 2.30 2.952191944e+00 2.952191944e+00 2.32 2.099365742e+00 2.099365742e+00 2.34 1.309043051e+00 1.309043051e+00 2.36 5.775432766e-01 5.775432766e-01 2.38 -9.862562177e-02 -9.862562177e-02 2.40 -7.228138393e-01 -7.228138393e-01 2.42 -1.298265636e+00 -1.298265636e+00 2.44 -1.828125795e+00 -1.828125795e+00 2.46 -2.315445289e+00 -2.315445289e+00 2.48 -2.763165063e+00 -2.763165063e+00 2.50 -3.174090876e+00 -3.174090876e+00 2.52 -3.550863655e+00 -3.550863655e+00 2.54 -3.895932483e+00 -3.895932483e+00 2.56 -4.211536424e+00 -4.211536424e+00 2.58 -4.499699819e+00 -4.499699819e+00 2.60 -4.762242946e+00 -4.762242946e+00 2.62 -5.000803147e+00 -5.000803147e+00 2.64 -5.216878023e+00 -5.216878023e+00 2.66 -5.411838013e+00 -5.411838013e+00 2.68 -5.586966944e+00 -5.586966944e+00 2.70 -5.743477418e+00 -5.743477418e+00 2.72 -5.882522090e+00 -5.882522090e+00 2.74 -6.005182637e+00 -6.005182637e+00 2.76 -6.112447775e+00 -6.112447775e+00 2.78 -6.205336607e+00 -6.205336607e+00 2.80 -6.284816806e+00 -6.284816806e+00 2.82 -6.351851774e+00 -6.351851774e+00 2.84 -6.407287175e+00 -6.407287175e+00 2.86 -6.451766987e+00 -6.451766987e+00 2.88 -6.485910309e+00 -6.485910309e+00 2.90 -6.510317062e+00 -6.510317062e+00 2.92 -6.525572515e+00 -6.525572515e+00 2.94 -6.532224022e+00 -6.532224022e+00 2.96 -6.530685438e+00 -6.530685438e+00 2.98 -6.521335275e+00 -6.521335275e+00 3.00 -6.504390375e+00 -6.504390375e+00 3.02 -6.479954812e+00 -6.479954812e+00 3.04 -6.448174719e+00 -6.448174719e+00 3.06 -6.409243917e+00 -6.409243917e+00 3.08 -6.363373076e+00 -6.363373076e+00 3.10 -6.311095407e+00 -6.311095407e+00 3.12 -6.252677030e+00 -6.252677030e+00 3.14 -6.188186403e+00 -6.188186403e+00 3.16 -6.117741177e+00 -6.117741177e+00 3.18 -6.041518714e+00 -6.041518714e+00 3.20 -5.959742864e+00 -5.959742864e+00 3.22 -5.872678383e+00 -5.872678383e+00 3.24 -5.780628064e+00 -5.780628064e+00 3.26 -5.683944589e+00 -5.683944589e+00 3.28 -5.583045312e+00 -5.583045312e+00 3.30 -5.478376599e+00 -5.478376599e+00 3.32 -5.370405990e+00 -5.370405990e+00 3.34 -5.259616096e+00 -5.259616096e+00 3.36 -5.146495912e+00 -5.146495912e+00 3.38 -5.031532085e+00 -5.031532085e+00 3.40 -4.915200921e+00 -4.915200921e+00 3.42 -4.797972019e+00 -4.797972019e+00 3.44 -4.680297019e+00 -4.680297019e+00 3.46 -4.562617227e+00 -4.562617227e+00 3.48 -4.445360317e+00 -4.445360317e+00 3.50 -4.328936492e+00 -4.328936492e+00 3.52 -4.213731966e+00 -4.213731966e+00 3.54 -4.100100642e+00 -4.100100642e+00 3.56 -3.988355363e+00 -3.988355363e+00 3.58 -3.878760248e+00 -3.878760248e+00 3.60 -3.771525266e+00 -3.771525266e+00 3.62 -3.666803792e+00 -3.666803792e+00 3.64 -3.564693341e+00 -3.564693341e+00 3.66 -3.465239277e+00 -3.465239277e+00 3.68 -3.368441000e+00 -3.368441000e+00 3.70 -3.274259987e+00 -3.274259987e+00 3.72 -3.182629017e+00 -3.182629017e+00 3.74 -3.093461936e+00 -3.093461936e+00 3.76 -3.006663362e+00 -3.006663362e+00 3.78 -2.922137709e+00 -2.922137709e+00 3.80 -2.839796926e+00 -2.839796926e+00 3.82 -2.759566328e+00 -2.759566328e+00 3.84 -2.681387947e+00 -2.681387947e+00 3.86 -2.605221072e+00 -2.605221072e+00 3.88 -2.531039964e+00 -2.531039964e+00 3.90 -2.458829242e+00 -2.458829242e+00 3.92 -2.388574354e+00 -2.388574354e+00 3.94 -2.320270402e+00 -2.320270402e+00 3.96 -2.253893530e+00 -2.253893530e+00 3.98 -2.189414566e+00 -2.189414566e+00 4.00 -2.126793848e+00 -2.126793848e+00 4.02 -2.065982565e+00 -2.065982565e+00 4.04 -2.006925514e+00 -2.006925514e+00 4.06 -1.949564463e+00 -1.949564463e+00 4.08 -1.893841379e+00 -1.893841379e+00 4.10 -1.839692200e+00 -1.839692200e+00 4.12 -1.787085118e+00 -1.787085118e+00 4.14 -1.735963215e+00 -1.735963215e+00 4.16 -1.686284922e+00 -1.686284922e+00 4.18 -1.638012236e+00 -1.638012236e+00 4.20 -1.591109461e+00 -1.591109461e+00 4.22 -1.545541906e+00 -1.545541906e+00 4.24 -1.501274767e+00 -1.501274767e+00 4.26 -1.458272328e+00 -1.458272328e+00 4.28 -1.416497522e+00 -1.416497522e+00 4.30 -1.375911842e+00 -1.375911842e+00 4.32 -1.336475519e+00 -1.336475519e+00 4.34 -1.298147880e+00 -1.298147880e+00 4.36 -1.260887803e+00 -1.260887803e+00 4.38 -1.224654180e+00 -1.224654180e+00 4.40 -1.189406358e+00 -1.189406358e+00 4.42 -1.155104522e+00 -1.155104522e+00 4.44 -1.121710010e+00 -1.121710010e+00 4.46 -1.089185584e+00 -1.089185584e+00 4.48 -1.057495658e+00 -1.057495658e+00 4.50 -1.026606508e+00 -1.026606508e+00 4.52 -9.964864823e-01 -9.964864823e-01 4.54 -9.671062279e-01 -9.671062279e-01 4.56 -9.384389284e-01 -9.384389284e-01 4.58 -9.104605641e-01 -9.104605641e-01 4.60 -8.831501759e-01 -8.831501759e-01 4.62 -8.564901118e-01 -8.564901118e-01 4.64 -8.304662277e-01 -8.304662277e-01 4.66 -8.050680025e-01 -8.050680025e-01 4.68 -7.802885292e-01 -7.802885292e-01 4.70 -7.561243438e-01 -7.561243438e-01 4.72 -7.325750641e-01 -7.325750641e-01 4.74 -7.096428299e-01 -7.096428299e-01 4.76 -6.873315550e-01 -6.873315550e-01 4.78 -6.656460320e-01 -6.656460320e-01 4.80 -6.445847768e-01 -6.445847768e-01 4.82 -6.241647761e-01 -6.241647761e-01 4.84 -6.043802232e-01 -6.043802232e-01 4.86 -5.852299826e-01 -5.852299826e-01 4.88 -5.667096155e-01 -5.667096155e-01 4.90 -5.488110901e-01 -5.488110901e-01 4.92 -5.315227441e-01 -5.315227441e-01 4.94 -5.148294737e-01 -5.148294737e-01 4.96 -4.987131035e-01 -4.987131035e-01 4.98 -4.831528823e-01 -4.831528823e-01 5.00 -4.681260456e-01 -4.681260456e-01 5.02 -4.536083924e-01 -4.536083924e-01 5.04 -4.395748361e-01 -4.395748361e-01 5.06 -4.259998994e-01 -4.259998994e-01 5.08 -4.128581401e-01 -4.128581401e-01 5.10 -4.001245012e-01 -4.001245012e-01 5.12 -3.877745935e-01 -3.877745935e-01 5.14 -3.757849181e-01 -3.757849181e-01 5.16 -3.641330457e-01 -3.641330457e-01 5.18 -3.527977661e-01 -3.527977661e-01 5.20 -3.417592241e-01 -3.417592241e-01 5.22 -3.309990531e-01 -3.309990531e-01 5.24 -3.205005171e-01 -3.205005171e-01 5.26 -3.102486655e-01 -3.102486655e-01 5.28 -3.002305011e-01 -3.002305011e-01 5.30 -2.904351558e-01 -2.904351558e-01 5.32 -2.808540619e-01 -2.808540619e-01 5.34 -2.714810998e-01 -2.714810998e-01 5.36 -2.623127013e-01 -2.623127013e-01 5.38 -2.533478785e-01 -2.533478785e-01 5.40 -2.445881543e-01 -2.445881543e-01 5.42 -2.360373702e-01 -2.360373702e-01 5.44 -2.277013581e-01 -2.277013581e-01 5.46 -2.195874769e-01 -2.195874769e-01 5.48 -2.117040285e-01 -2.117040285e-01 5.50 -2.040595880e-01 -2.040595880e-01 5.52 -1.966622978e-01 -1.966622978e-01 5.54 -1.895191816e-01 -1.895191816e-01 5.56 -1.826355356e-01 -1.826355356e-01 5.58 -1.760144488e-01 -1.760144488e-01 5.60 -1.696562823e-01 -1.696562823e-01 5.62 -1.635587835e-01 -1.635587835e-01 5.64 -1.577174571e-01 -1.577174571e-01 5.66 -1.521252918e-01 -1.521252918e-01 5.68 -1.467730726e-01 -1.467730726e-01 5.70 -1.416497713e-01 -1.416497713e-01 5.72 -1.367429696e-01 -1.367429696e-01 5.74 -1.320392764e-01 -1.320392764e-01 5.76 -1.275247141e-01 -1.275247141e-01 5.78 -1.231850553e-01 -1.231850553e-01 5.80 -1.190061004e-01 -1.190061004e-01 5.82 -1.149738962e-01 -1.149738962e-01 5.84 -1.110748979e-01 -1.110748979e-01 5.86 -1.072960826e-01 -1.072960826e-01 5.88 -1.036250246e-01 -1.036250246e-01 5.90 -1.000499415e-01 -1.000499415e-01 5.92 -9.655972124e-02 -9.655972124e-02 5.94 -9.314393917e-02 -9.314393917e-02 5.96 -8.979287361e-02 -8.979287361e-02 5.98 -8.649752546e-02 -8.649752546e-02 6.00 -8.324964781e-02 -8.324964781e-02