# 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 = Mg2PtW # 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 4.763831447e+02 4.763831447e+02 1.30 4.421627789e+02 4.421627789e+02 1.32 4.103823748e+02 4.103823748e+02 1.34 3.808822742e+02 3.808822742e+02 1.36 3.535215086e+02 3.535215086e+02 1.38 3.281622532e+02 3.281622532e+02 1.40 3.046603296e+02 3.046603296e+02 1.42 2.828660004e+02 2.828660004e+02 1.44 2.626318159e+02 2.626318159e+02 1.46 2.438214210e+02 2.438214210e+02 1.48 2.263147219e+02 2.263147219e+02 1.50 2.100080818e+02 2.100080818e+02 1.52 1.948111099e+02 1.948111099e+02 1.54 1.806426767e+02 1.806426767e+02 1.56 1.674280609e+02 1.674280609e+02 1.58 1.550975142e+02 1.550975142e+02 1.60 1.435857072e+02 1.435857072e+02 1.62 1.328316619e+02 1.328316619e+02 1.64 1.227792091e+02 1.227792091e+02 1.66 1.133778711e+02 1.133778711e+02 1.68 1.045837016e+02 1.045837016e+02 1.70 9.635946034e+01 9.635946034e+01 1.72 8.867409698e+01 8.867409698e+01 1.74 8.149983740e+01 8.149983740e+01 1.76 7.481923459e+01 7.481923459e+01 1.78 6.865924141e+01 6.865924141e+01 1.80 6.298944624e+01 6.298944624e+01 1.82 5.776871681e+01 5.776871681e+01 1.84 5.295822980e+01 5.295822980e+01 1.86 4.852207891e+01 4.852207891e+01 1.88 4.442763396e+01 4.442763396e+01 1.90 4.064553637e+01 4.064553637e+01 1.92 3.714951233e+01 3.714951233e+01 1.94 3.391613586e+01 3.391613586e+01 1.96 3.092459556e+01 3.092459556e+01 1.98 2.815643067e+01 2.815643067e+01 2.00 2.559520818e+01 2.559520818e+01 2.02 2.322614327e+01 2.322614327e+01 2.04 2.103571728e+01 2.103571728e+01 2.06 1.901135587e+01 1.901135587e+01 2.08 1.714120250e+01 1.714120250e+01 2.10 1.541399244e+01 1.541399244e+01 2.12 1.381900848e+01 1.381900848e+01 2.14 1.234610415e+01 1.234610415e+01 2.16 1.098577093e+01 1.098577093e+01 2.18 9.729217057e+00 9.729217057e+00 2.20 8.568426769e+00 8.568426769e+00 2.22 7.496171885e+00 7.496171885e+00 2.24 6.505976580e+00 6.505976580e+00 2.26 5.592046687e+00 5.592046687e+00 2.28 4.749180604e+00 4.749180604e+00 2.30 3.972762786e+00 3.972762786e+00 2.32 3.258451308e+00 3.258451308e+00 2.34 2.602169020e+00 2.602169020e+00 2.36 2.000114448e+00 2.000114448e+00 2.38 1.448696659e+00 1.448696659e+00 2.40 9.444879439e-01 9.444879439e-01 2.42 4.841936100e-01 4.841936100e-01 2.44 6.465517162e-02 6.465517162e-02 2.46 -3.169742614e-01 -3.169742614e-01 2.48 -6.636871503e-01 -6.636871503e-01 2.50 -9.793035420e-01 -9.793035420e-01 2.52 -1.266081915e+00 -1.266081915e+00 2.54 -1.526080279e+00 -1.526080279e+00 2.56 -1.761271959e+00 -1.761271959e+00 2.58 -1.973486716e+00 -1.973486716e+00 2.60 -2.164364464e+00 -2.164364464e+00 2.62 -2.335333843e+00 -2.335333843e+00 2.64 -2.487621603e+00 -2.487621603e+00 2.66 -2.622280703e+00 -2.622280703e+00 2.68 -2.740232909e+00 -2.740232909e+00 2.70 -2.842308046e+00 -2.842308046e+00 2.72 -2.929275399e+00 -2.929275399e+00 2.74 -3.001864599e+00 -3.001864599e+00 2.76 -3.060777432e+00 -3.060777432e+00 2.78 -3.106693628e+00 -3.106693628e+00 2.80 -3.140275746e+00 -3.140275746e+00 2.82 -3.162172685e+00 -3.162172685e+00 2.84 -3.173029390e+00 -3.173029390e+00 2.86 -3.173499661e+00 -3.173499661e+00 2.88 -3.164263469e+00 -3.164263469e+00 2.90 -3.146046505e+00 -3.146046505e+00 2.92 -3.119638256e+00 -3.119638256e+00 2.94 -3.085903615e+00 -3.085903615e+00 2.96 -3.045782728e+00 -3.045782728e+00 2.98 -3.000275297e+00 -3.000275297e+00 3.00 -2.950408930e+00 -2.950408930e+00 3.02 -2.897195596e+00 -2.897195596e+00 3.04 -2.841583703e+00 -2.841583703e+00 3.06 -2.784416502e+00 -2.784416502e+00 3.08 -2.726451553e+00 -2.726451553e+00 3.10 -2.668612440e+00 -2.668612440e+00 3.12 -2.611629311e+00 -2.611629311e+00 3.14 -2.555903850e+00 -2.555903850e+00 3.16 -2.501591136e+00 -2.501591136e+00 3.18 -2.448681000e+00 -2.448681000e+00 3.20 -2.397062426e+00 -2.397062426e+00 3.22 -2.346573367e+00 -2.346573367e+00 3.24 -2.297036339e+00 -2.297036339e+00 3.26 -2.248282084e+00 -2.248282084e+00 3.28 -2.200163901e+00 -2.200163901e+00 3.30 -2.152565013e+00 -2.152565013e+00 3.32 -2.105401075e+00 -2.105401075e+00 3.34 -2.058619577e+00 -2.058619577e+00 3.36 -2.012197572e+00 -2.012197572e+00 3.38 -1.966138768e+00 -1.966138768e+00 3.40 -1.920476967e+00 -1.920476967e+00 3.42 -1.875315428e+00 -1.875315428e+00 3.44 -1.830655859e+00 -1.830655859e+00 3.46 -1.786499276e+00 -1.786499276e+00 3.48 -1.742877057e+00 -1.742877057e+00 3.50 -1.699845547e+00 -1.699845547e+00 3.52 -1.657472838e+00 -1.657472838e+00 3.54 -1.615727048e+00 -1.615727048e+00 3.56 -1.574523810e+00 -1.574523810e+00 3.58 -1.533836911e+00 -1.533836911e+00 3.60 -1.493685434e+00 -1.493685434e+00 3.62 -1.454117375e+00 -1.454117375e+00 3.64 -1.415195130e+00 -1.415195130e+00 3.66 -1.376983698e+00 -1.376983698e+00 3.68 -1.339541999e+00 -1.339541999e+00 3.70 -1.302917242e+00 -1.302917242e+00 3.72 -1.267142003e+00 -1.267142003e+00 3.74 -1.232233470e+00 -1.232233470e+00 3.76 -1.198194252e+00 -1.198194252e+00 3.78 -1.165014189e+00 -1.165014189e+00 3.80 -1.132672649e+00 -1.132672649e+00 3.82 -1.101140932e+00 -1.101140932e+00 3.84 -1.070384479e+00 -1.070384479e+00 3.86 -1.040364731e+00 -1.040364731e+00 3.88 -1.011040568e+00 -1.011040568e+00 3.90 -9.823693685e-01 -9.823693685e-01 3.92 -9.543076376e-01 -9.543076376e-01 3.94 -9.268123973e-01 -9.268123973e-01 3.96 -8.998408153e-01 -8.998408153e-01 3.98 -8.733519233e-01 -8.733519233e-01 4.00 -8.473075960e-01 -8.473075960e-01 4.02 -8.216740055e-01 -8.216740055e-01 4.04 -7.964232795e-01 -7.964232795e-01 4.06 -7.715352460e-01 -7.715352460e-01 4.08 -7.469990977e-01 -7.469990977e-01 4.10 -7.228142810e-01 -7.228142810e-01 4.12 -6.989934279e-01 -6.989934279e-01 4.14 -6.755592193e-01 -6.755592193e-01 4.16 -6.525459069e-01 -6.525459069e-01 4.18 -6.299968896e-01 -6.299968896e-01 4.20 -6.079619271e-01 -6.079619271e-01 4.22 -5.864935625e-01 -5.864935625e-01 4.24 -5.656430929e-01 -5.656430929e-01 4.26 -5.454565244e-01 -5.454565244e-01 4.28 -5.259709722e-01 -5.259709722e-01 4.30 -5.072118976e-01 -5.072118976e-01 4.32 -4.891914342e-01 -4.891914342e-01 4.34 -4.719078821e-01 -4.719078821e-01 4.36 -4.553462701e-01 -4.553462701e-01 4.38 -4.394797670e-01 -4.394797670e-01 4.40 -4.242716468e-01 -4.242716468e-01 4.42 -4.096775168e-01 -4.096775168e-01 4.44 -3.956475533e-01 -3.956475533e-01 4.46 -3.821285652e-01 -3.821285652e-01 4.48 -3.690657784e-01 -3.690657784e-01 4.50 -3.564043057e-01 -3.564043057e-01 4.52 -3.440903170e-01 -3.440903170e-01 4.54 -3.320719611e-01 -3.320719611e-01 4.56 -3.203001088e-01 -3.203001088e-01 4.58 -3.087289886e-01 -3.087289886e-01 4.60 -2.973167851e-01 -2.973167851e-01 4.62 -2.860262522e-01 -2.860262522e-01 4.64 -2.748253768e-01 -2.748253768e-01 4.66 -2.636881070e-01 -2.636881070e-01 4.68 -2.525951286e-01 -2.525951286e-01 4.70 -2.415346505e-01 -2.415346505e-01 4.72 -2.305031284e-01 -2.305031284e-01 4.74 -2.195058359e-01 -2.195058359e-01 4.76 -2.085571751e-01 -2.085571751e-01 4.78 -1.976806164e-01 -1.976806164e-01 4.80 -1.869077970e-01 -1.869077970e-01 4.82 -1.762790465e-01 -1.762790465e-01 4.84 -1.658393356e-01 -1.658393356e-01 4.86 -1.556379531e-01 -1.556379531e-01 4.88 -1.457256494e-01 -1.457256494e-01 4.90 -1.361520708e-01 -1.361520708e-01 4.92 -1.269632445e-01 -1.269632445e-01 4.94 -1.181993320e-01 -1.181993320e-01 4.96 -1.098928369e-01 -1.098928369e-01 4.98 -1.020673987e-01 -1.020673987e-01 5.00 -9.473722764e-02 -9.473722764e-02 5.02 -8.790716127e-02 -8.790716127e-02 5.04 -8.157326279e-02 -8.157326279e-02 5.06 -7.572383488e-02 -7.572383488e-02 5.08 -7.034070533e-02 -7.034070533e-02 5.10 -6.540064250e-02 -6.540064250e-02 5.12 -6.087678678e-02 -6.087678678e-02 5.14 -5.673996017e-02 -5.673996017e-02 5.16 -5.295985089e-02 -5.295985089e-02 5.18 -4.950601788e-02 -4.950601788e-02 5.20 -4.634868066e-02 -4.634868066e-02 5.22 -4.345931811e-02 -4.345931811e-02 5.24 -4.081073873e-02 -4.081073873e-02 5.26 -3.837717105e-02 -3.837717105e-02 5.28 -3.613653783e-02 -3.613653783e-02 5.30 -3.406877266e-02 -3.406877266e-02 5.32 -3.215576321e-02 -3.215576321e-02 5.34 -3.038136847e-02 -3.038136847e-02 5.36 -2.873136659e-02 -2.873136659e-02 5.38 -2.719335496e-02 -2.719335496e-02 5.40 -2.575661507e-02 -2.575661507e-02 5.42 -2.441195316e-02 -2.441195316e-02 5.44 -2.315152513e-02 -2.315152513e-02 5.46 -2.196865237e-02 -2.196865237e-02 5.48 -2.085763477e-02 -2.085763477e-02 5.50 -1.981356776e-02 -1.981356776e-02 5.52 -1.883216993e-02 -1.883216993e-02 5.54 -1.790962753e-02 -1.790962753e-02 5.56 -1.704246121e-02 -1.704246121e-02 5.58 -1.622741856e-02 -1.622741856e-02 5.60 -1.546139387e-02 -1.546139387e-02 5.62 -1.474137443e-02 -1.474137443e-02 5.64 -1.406441043e-02 -1.406441043e-02 5.66 -1.342760421e-02 -1.342760421e-02 5.68 -1.282811383e-02 -1.282811383e-02 5.70 -1.226316587e-02 -1.226316587e-02 5.72 -1.173007265e-02 -1.173007265e-02 5.74 -1.122625095e-02 -1.122625095e-02 5.76 -1.074927277e-02 -1.074927277e-02 5.78 -1.029682162e-02 -1.029682162e-02 5.80 -9.866698927e-03 -9.866698927e-03 5.82 -9.456853458e-03 -9.456853458e-03 5.84 -9.065381699e-03 -9.065381699e-03 5.86 -8.690525182e-03 -8.690525182e-03 5.88 -8.330665575e-03 -8.330665575e-03 5.90 -7.984318403e-03 -7.984318403e-03 5.92 -7.650126202e-03 -7.650126202e-03 5.94 -7.326851779e-03 -7.326851779e-03 5.96 -7.013372145e-03 -7.013372145e-03 5.98 -6.708673564e-03 -6.708673564e-03 6.00 -6.411847987e-03 -6.411847987e-03