# 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 = Mg2MoPb # 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 4.067437835e+02 4.067437835e+02 1.30 3.779119484e+02 3.779119484e+02 1.32 3.511855942e+02 3.511855942e+02 1.34 3.264081823e+02 3.264081823e+02 1.36 3.034346593e+02 3.034346593e+02 1.38 2.821278950e+02 2.821278950e+02 1.40 2.623575862e+02 2.623575862e+02 1.42 2.440013013e+02 2.440013013e+02 1.44 2.269459611e+02 2.269459611e+02 1.46 2.110884152e+02 2.110884152e+02 1.48 1.963350970e+02 1.963350970e+02 1.50 1.826013480e+02 1.826013480e+02 1.52 1.698107262e+02 1.698107262e+02 1.54 1.578941867e+02 1.578941867e+02 1.56 1.467890879e+02 1.467890879e+02 1.58 1.364381799e+02 1.364381799e+02 1.60 1.267887697e+02 1.267887697e+02 1.62 1.177921815e+02 1.177921815e+02 1.64 1.094034662e+02 1.094034662e+02 1.66 1.015818237e+02 1.015818237e+02 1.68 9.429138694e+01 9.429138694e+01 1.70 8.750238776e+01 8.750238776e+01 1.72 8.118487775e+01 8.118487775e+01 1.74 7.530693868e+01 7.530693868e+01 1.76 6.983845540e+01 6.983845540e+01 1.78 6.475053996e+01 6.475053996e+01 1.80 6.001556400e+01 6.001556400e+01 1.82 5.560743044e+01 5.560743044e+01 1.84 5.150190351e+01 5.150190351e+01 1.86 4.767684888e+01 4.767684888e+01 1.88 4.411227548e+01 4.411227548e+01 1.90 4.079016981e+01 4.079016981e+01 1.92 3.769420820e+01 3.769420820e+01 1.94 3.480944867e+01 3.480944867e+01 1.96 3.212206007e+01 3.212206007e+01 1.98 2.961912472e+01 2.961912472e+01 2.00 2.728849702e+01 2.728849702e+01 2.02 2.511870315e+01 2.511870315e+01 2.04 2.309887184e+01 2.309887184e+01 2.06 2.121869439e+01 2.121869439e+01 2.08 1.946840888e+01 1.946840888e+01 2.10 1.783880835e+01 1.783880835e+01 2.12 1.632126112e+01 1.632126112e+01 2.14 1.490773343e+01 1.490773343e+01 2.16 1.359080873e+01 1.359080873e+01 2.18 1.236368946e+01 1.236368946e+01 2.20 1.122017606e+01 1.122017606e+01 2.22 1.015462312e+01 1.015462312e+01 2.24 9.161881576e+00 9.161881576e+00 2.26 8.237237108e+00 8.237237108e+00 2.28 7.376345310e+00 7.376345310e+00 2.30 6.575183641e+00 6.575183641e+00 2.32 5.829992172e+00 5.829992172e+00 2.34 5.137240993e+00 5.137240993e+00 2.36 4.493605595e+00 4.493605595e+00 2.38 3.896059851e+00 3.896059851e+00 2.40 3.341519596e+00 3.341519596e+00 2.42 2.827024113e+00 2.827024113e+00 2.44 2.349814940e+00 2.349814940e+00 2.46 1.907331615e+00 1.907331615e+00 2.48 1.497207512e+00 1.497207512e+00 2.50 1.117262791e+00 1.117262791e+00 2.52 7.654959105e-01 7.654959105e-01 2.54 4.401657887e-01 4.401657887e-01 2.56 1.397833860e-01 1.397833860e-01 2.58 -1.370501772e-01 -1.370501772e-01 2.60 -3.916608580e-01 -3.916608580e-01 2.62 -6.253073834e-01 -6.253073834e-01 2.64 -8.391914494e-01 -8.391914494e-01 2.66 -1.034458518e+00 -1.034458518e+00 2.68 -1.212206803e+00 -1.212206803e+00 2.70 -1.373489306e+00 -1.373489306e+00 2.72 -1.519314801e+00 -1.519314801e+00 2.74 -1.650646799e+00 -1.650646799e+00 2.76 -1.768401008e+00 -1.768401008e+00 2.78 -1.873441746e+00 -1.873441746e+00 2.80 -1.966580843e+00 -1.966580843e+00 2.82 -2.048573410e+00 -2.048573410e+00 2.84 -2.120120377e+00 -2.120120377e+00 2.86 -2.181870885e+00 -2.181870885e+00 2.88 -2.234427549e+00 -2.234427549e+00 2.90 -2.278353703e+00 -2.278353703e+00 2.92 -2.314181945e+00 -2.314181945e+00 2.94 -2.342423107e+00 -2.342423107e+00 2.96 -2.363574572e+00 -2.363574572e+00 2.98 -2.378126871e+00 -2.378126871e+00 3.00 -2.386567678e+00 -2.386567678e+00 3.02 -2.389428030e+00 -2.389428030e+00 3.04 -2.387177648e+00 -2.387177648e+00 3.06 -2.380177728e+00 -2.380177728e+00 3.08 -2.368815408e+00 -2.368815408e+00 3.10 -2.353494945e+00 -2.353494945e+00 3.12 -2.334617309e+00 -2.334617309e+00 3.14 -2.312548830e+00 -2.312548830e+00 3.16 -2.287625352e+00 -2.287625352e+00 3.18 -2.260168821e+00 -2.260168821e+00 3.20 -2.230479278e+00 -2.230479278e+00 3.22 -2.198831488e+00 -2.198831488e+00 3.24 -2.165474696e+00 -2.165474696e+00 3.26 -2.130634654e+00 -2.130634654e+00 3.28 -2.094517024e+00 -2.094517024e+00 3.30 -2.057311252e+00 -2.057311252e+00 3.32 -2.019234764e+00 -2.019234764e+00 3.34 -1.980449045e+00 -1.980449045e+00 3.36 -1.941038442e+00 -1.941038442e+00 3.38 -1.901095885e+00 -1.901095885e+00 3.40 -1.860724079e+00 -1.860724079e+00 3.42 -1.820037500e+00 -1.820037500e+00 3.44 -1.779122680e+00 -1.779122680e+00 3.46 -1.737933485e+00 -1.737933485e+00 3.48 -1.696439318e+00 -1.696439318e+00 3.50 -1.654668017e+00 -1.654668017e+00 3.52 -1.612696383e+00 -1.612696383e+00 3.54 -1.570638507e+00 -1.570638507e+00 3.56 -1.528632984e+00 -1.528632984e+00 3.58 -1.486830357e+00 -1.486830357e+00 3.60 -1.445381982e+00 -1.445381982e+00 3.62 -1.404431091e+00 -1.404431091e+00 3.64 -1.364106483e+00 -1.364106483e+00 3.66 -1.324518770e+00 -1.324518770e+00 3.68 -1.285758862e+00 -1.285758862e+00 3.70 -1.247898148e+00 -1.247898148e+00 3.72 -1.210989812e+00 -1.210989812e+00 3.74 -1.175070750e+00 -1.175070750e+00 3.76 -1.140163709e+00 -1.140163709e+00 3.78 -1.106279399e+00 -1.106279399e+00 3.80 -1.073418450e+00 -1.073418450e+00 3.82 -1.041573172e+00 -1.041573172e+00 3.84 -1.010729119e+00 -1.010729119e+00 3.86 -9.808664481e-01 -9.808664481e-01 3.88 -9.519610805e-01 -9.519610805e-01 3.90 -9.239856678e-01 -9.239856678e-01 3.92 -8.969097271e-01 -8.969097271e-01 3.94 -8.707030795e-01 -8.707030795e-01 3.96 -8.453320844e-01 -8.453320844e-01 3.98 -8.207632828e-01 -8.207632828e-01 4.00 -7.969631327e-01 -7.969631327e-01 4.02 -7.738985358e-01 -7.738985358e-01 4.04 -7.515373143e-01 -7.515373143e-01 4.06 -7.298486043e-01 -7.298486043e-01 4.08 -7.088031480e-01 -7.088031480e-01 4.10 -6.883716560e-01 -6.883716560e-01 4.12 -6.685325056e-01 -6.685325056e-01 4.14 -6.492597319e-01 -6.492597319e-01 4.16 -6.305313976e-01 -6.305313976e-01 4.18 -6.123272392e-01 -6.123272392e-01 4.20 -5.946285291e-01 -5.946285291e-01 4.22 -5.774179289e-01 -5.774179289e-01 4.24 -5.606793445e-01 -5.606793445e-01 4.26 -5.443977909e-01 -5.443977909e-01 4.28 -5.285592697e-01 -5.285592697e-01 4.30 -5.131506618e-01 -5.131506618e-01 4.32 -4.981596333e-01 -4.981596333e-01 4.34 -4.835745538e-01 -4.835745538e-01 4.36 -4.693844245e-01 -4.693844245e-01 4.38 -4.555788127e-01 -4.555788127e-01 4.40 -4.421477918e-01 -4.421477918e-01 4.42 -4.290818839e-01 -4.290818839e-01 4.44 -4.163720046e-01 -4.163720046e-01 4.46 -4.040094087e-01 -4.040094087e-01 4.48 -3.919856389e-01 -3.919856389e-01 4.50 -3.802924763e-01 -3.802924763e-01 4.52 -3.689218945e-01 -3.689218945e-01 4.54 -3.578660186e-01 -3.578660186e-01 4.56 -3.471170902e-01 -3.471170902e-01 4.58 -3.366674386e-01 -3.366674386e-01 4.60 -3.265094596e-01 -3.265094596e-01 4.62 -3.166356014e-01 -3.166356014e-01 4.64 -3.070383580e-01 -3.070383580e-01 4.66 -2.977102692e-01 -2.977102692e-01 4.68 -2.886439258e-01 -2.886439258e-01 4.70 -2.798319800e-01 -2.798319800e-01 4.72 -2.712671576e-01 -2.712671576e-01 4.74 -2.629422721e-01 -2.629422721e-01 4.76 -2.548502385e-01 -2.548502385e-01 4.78 -2.469840854e-01 -2.469840854e-01 4.80 -2.393358182e-01 -2.393358182e-01 4.82 -2.319012004e-01 -2.319012004e-01 4.84 -2.246722807e-01 -2.246722807e-01 4.86 -2.176426155e-01 -2.176426155e-01 4.88 -2.108058960e-01 -2.108058960e-01 4.90 -2.041559479e-01 -2.041559479e-01 4.92 -1.976867335e-01 -1.976867335e-01 4.94 -1.913923557e-01 -1.913923557e-01 4.96 -1.852670666e-01 -1.852670666e-01 4.98 -1.793052816e-01 -1.793052816e-01 5.00 -1.735015984e-01 -1.735015984e-01 5.02 -1.678508237e-01 -1.678508237e-01 5.04 -1.623480037e-01 -1.623480037e-01 5.06 -1.569884617e-01 -1.569884617e-01 5.08 -1.517678369e-01 -1.517678369e-01 5.10 -1.466821250e-01 -1.466821250e-01 5.12 -1.417277170e-01 -1.417277170e-01 5.14 -1.369014318e-01 -1.369014318e-01 5.16 -1.322005388e-01 -1.322005388e-01 5.18 -1.276227691e-01 -1.276227691e-01 5.20 -1.231663089e-01 -1.231663089e-01 5.22 -1.188297749e-01 -1.188297749e-01 5.24 -1.146121694e-01 -1.146121694e-01 5.26 -1.105128178e-01 -1.105128178e-01 5.28 -1.065312892e-01 -1.065312892e-01 5.30 -1.026673060e-01 -1.026673060e-01 5.32 -9.892064848e-02 -9.892064848e-02 5.34 -9.529106014e-02 -9.529106014e-02 5.36 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