# 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 = AuMoNi2 # 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 2.061251627e+02 2.061251627e+02 1.30 1.899706873e+02 1.899706873e+02 1.32 1.750484897e+02 1.750484897e+02 1.34 1.612667634e+02 1.612667634e+02 1.36 1.485414067e+02 1.485414067e+02 1.38 1.367926182e+02 1.367926182e+02 1.40 1.259431764e+02 1.259431764e+02 1.42 1.159188232e+02 1.159188232e+02 1.44 1.066496890e+02 1.066496890e+02 1.46 9.807162857e+01 9.807162857e+01 1.48 9.012702517e+01 9.012702517e+01 1.50 8.276494829e+01 8.276494829e+01 1.52 7.594055318e+01 7.594055318e+01 1.54 6.961384588e+01 6.961384588e+01 1.56 6.374831269e+01 6.374831269e+01 1.58 5.830993951e+01 5.830993951e+01 1.60 5.326683904e+01 5.326683904e+01 1.62 4.858935214e+01 4.858935214e+01 1.64 4.425026262e+01 4.425026262e+01 1.66 4.022481074e+01 4.022481074e+01 1.68 3.649046356e+01 3.649046356e+01 1.70 3.302768704e+01 3.302768704e+01 1.72 2.983055658e+01 2.983055658e+01 1.74 2.688443013e+01 2.688443013e+01 1.76 2.417081241e+01 2.417081241e+01 1.78 2.167219016e+01 2.167219016e+01 1.80 1.937201540e+01 1.937201540e+01 1.82 1.725474849e+01 1.725474849e+01 1.84 1.530594211e+01 1.530594211e+01 1.86 1.351233960e+01 1.351233960e+01 1.88 1.186191424e+01 1.186191424e+01 1.90 1.034379557e+01 1.034379557e+01 1.92 8.948103466e+00 8.948103466e+00 1.94 7.665763184e+00 7.665763184e+00 1.96 6.488367691e+00 6.488367691e+00 1.98 5.408106702e+00 5.408106702e+00 2.00 4.417735495e+00 4.417735495e+00 2.02 3.510542938e+00 3.510542938e+00 2.04 2.680296936e+00 2.680296936e+00 2.06 1.921173647e+00 1.921173647e+00 2.08 1.227693277e+00 1.227693277e+00 2.10 5.946839496e-01 5.946839496e-01 2.12 1.728088937e-02 1.728088937e-02 2.14 -5.090488314e-01 -5.090488314e-01 2.16 -9.884762575e-01 -9.884762575e-01 2.18 -1.424794859e+00 -1.424794859e+00 2.20 -1.821429028e+00 -1.821429028e+00 2.22 -2.181464159e+00 -2.181464159e+00 2.24 -2.507687812e+00 -2.507687812e+00 2.26 -2.802631877e+00 -2.802631877e+00 2.28 -3.068612056e+00 -3.068612056e+00 2.30 -3.307766286e+00 -3.307766286e+00 2.32 -3.522092348e+00 -3.522092348e+00 2.34 -3.713478226e+00 -3.713478226e+00 2.36 -3.883715400e+00 -3.883715400e+00 2.38 -4.034374387e+00 -4.034374387e+00 2.40 -4.167015956e+00 -4.167015956e+00 2.42 -4.283251775e+00 -4.283251775e+00 2.44 -4.384493472e+00 -4.384493472e+00 2.46 -4.471975594e+00 -4.471975594e+00 2.48 -4.546787648e+00 -4.546787648e+00 2.50 -4.609905054e+00 -4.609905054e+00 2.52 -4.662190931e+00 -4.662190931e+00 2.54 -4.704253327e+00 -4.704253327e+00 2.56 -4.736601954e+00 -4.736601954e+00 2.58 -4.759759471e+00 -4.759759471e+00 2.60 -4.774249999e+00 -4.774249999e+00 2.62 -4.780591976e+00 -4.780591976e+00 2.64 -4.779296669e+00 -4.779296669e+00 2.66 -4.770920542e+00 -4.770920542e+00 2.68 -4.755969558e+00 -4.755969558e+00 2.70 -4.734826894e+00 -4.734826894e+00 2.72 -4.707889104e+00 -4.707889104e+00 2.74 -4.675515246e+00 -4.675515246e+00 2.76 -4.637850514e+00 -4.637850514e+00 2.78 -4.595024866e+00 -4.595024866e+00 2.80 -4.547211604e+00 -4.547211604e+00 2.82 -4.494597347e+00 -4.494597347e+00 2.84 -4.437379347e+00 -4.437379347e+00 2.86 -4.375765422e+00 -4.375765422e+00 2.88 -4.309976191e+00 -4.309976191e+00 2.90 -4.240251652e+00 -4.240251652e+00 2.92 -4.166858934e+00 -4.166858934e+00 2.94 -4.090098458e+00 -4.090098458e+00 2.96 -4.010306554e+00 -4.010306554e+00 2.98 -3.927853418e+00 -3.927853418e+00 3.00 -3.843136115e+00 -3.843136115e+00 3.02 -3.756567079e+00 -3.756567079e+00 3.04 -3.668559205e+00 -3.668559205e+00 3.06 -3.579509195e+00 -3.579509195e+00 3.08 -3.489781225e+00 -3.489781225e+00 3.10 -3.399693094e+00 -3.399693094e+00 3.12 -3.309506740e+00 -3.309506740e+00 3.14 -3.219424282e+00 -3.219424282e+00 3.16 -3.129589806e+00 -3.129589806e+00 3.18 -3.040096163e+00 -3.040096163e+00 3.20 -2.950995386e+00 -2.950995386e+00 3.22 -2.862311135e+00 -2.862311135e+00 3.24 -2.774051706e+00 -2.774051706e+00 3.26 -2.686222525e+00 -2.686222525e+00 3.28 -2.598837388e+00 -2.598837388e+00 3.30 -2.511928025e+00 -2.511928025e+00 3.32 -2.425551654e+00 -2.425551654e+00 3.34 -2.339796273e+00 -2.339796273e+00 3.36 -2.254783409e+00 -2.254783409e+00 3.38 -2.170668084e+00 -2.170668084e+00 3.40 -2.087635857e+00 -2.087635857e+00 3.42 -2.005896995e+00 -2.005896995e+00 3.44 -1.925678099e+00 -1.925678099e+00 3.46 -1.847211811e+00 -1.847211811e+00 3.48 -1.770725491e+00 -1.770725491e+00 3.50 -1.696429917e+00 -1.696429917e+00 3.52 -1.624509065e+00 -1.624509065e+00 3.54 -1.555111878e+00 -1.555111878e+00 3.56 -1.488346684e+00 -1.488346684e+00 3.58 -1.424278523e+00 -1.424278523e+00 3.60 -1.362929357e+00 -1.362929357e+00 3.62 -1.304280797e+00 -1.304280797e+00 3.64 -1.248278844e+00 -1.248278844e+00 3.66 -1.194840012e+00 -1.194840012e+00 3.68 -1.143858258e+00 -1.143858258e+00 3.70 -1.095212190e+00 -1.095212190e+00 3.72 -1.048772121e+00 -1.048772121e+00 3.74 -1.004406636e+00 -1.004406636e+00 3.76 -9.619884062e-01 -9.619884062e-01 3.78 -9.213989968e-01 -9.213989968e-01 3.80 -8.825324647e-01 -8.825324647e-01 3.82 -8.452975290e-01 -8.452975290e-01 3.84 -8.096181711e-01 -8.096181711e-01 3.86 -7.754326192e-01 -7.754326192e-01 3.88 -7.426908488e-01 -7.426908488e-01 3.90 -7.113509344e-01 -7.113509344e-01 3.92 -6.813747768e-01 -6.813747768e-01 3.94 -6.527238458e-01 -6.527238458e-01 3.96 -6.253555493e-01 -6.253555493e-01 3.98 -5.992207061e-01 -5.992207061e-01 4.00 -5.742623458e-01 -5.742623458e-01 4.02 -5.504158055e-01 -5.504158055e-01 4.04 -5.276098818e-01 -5.276098818e-01 4.06 -5.057686831e-01 -5.057686831e-01 4.08 -4.848138099e-01 -4.848138099e-01 4.10 -4.646665523e-01 -4.646665523e-01 4.12 -4.452498989e-01 -4.452498989e-01 4.14 -4.264902324e-01 -4.264902324e-01 4.16 -4.083187059e-01 -4.083187059e-01 4.18 -3.906723102e-01 -3.906723102e-01 4.20 -3.734946906e-01 -3.734946906e-01 4.22 -3.567367666e-01 -3.567367666e-01 4.24 -3.403572032e-01 -3.403572032e-01 4.26 -3.243227656e-01 -3.243227656e-01 4.28 -3.086085782e-01 -3.086085782e-01 4.30 -2.931982958e-01 -2.931982958e-01 4.32 -2.780841857e-01 -2.780841857e-01 4.34 -2.632671068e-01 -2.632671068e-01 4.36 -2.487563513e-01 -2.487563513e-01 4.38 -2.345692967e-01 -2.345692967e-01 4.40 -2.207307916e-01 -2.207307916e-01 4.42 -2.072721854e-01 -2.072721854e-01 4.44 -1.942299272e-01 -1.942299272e-01 4.46 -1.816436966e-01 -1.816436966e-01 4.48 -1.695541033e-01 -1.695541033e-01 4.50 -1.580000821e-01 -1.580000821e-01 4.52 -1.470161992e-01 -1.470161992e-01 4.54 -1.366301380e-01 -1.366301380e-01 4.56 -1.268606438e-01 -1.268606438e-01 4.58 -1.177161543e-01 -1.177161543e-01 4.60 -1.091942459e-01 -1.091942459e-01 4.62 -1.012819184e-01 -1.012819184e-01 4.64 -9.395661223e-02 -9.395661223e-02 4.66 -8.718777843e-02 -8.718777843e-02 4.68 -8.093878561e-02 -8.093878561e-02 4.70 -7.516897240e-02 -7.516897240e-02 4.72 -6.983562956e-02 -6.983562956e-02 4.74 -6.489550557e-02 -6.489550557e-02 4.76 -6.030675077e-02 -6.030675077e-02 4.78 -5.603053784e-02 -5.603053784e-02 4.80 -5.203125154e-02 -5.203125154e-02 4.82 -4.827711014e-02 -4.827711014e-02 4.84 -4.474059948e-02 -4.474059948e-02 4.86 -4.139866128e-02 -4.139866128e-02 4.88 -3.823266955e-02 -3.823266955e-02 4.90 -3.522823297e-02 -3.522823297e-02 4.92 -3.237485042e-02 -3.237485042e-02 4.94 -2.966544464e-02 -2.966544464e-02 4.96 -2.709579968e-02 -2.709579968e-02 4.98 -2.466392895e-02 -2.466392895e-02 5.00 -2.236940936e-02 -2.236940936e-02 5.02 -2.021271774e-02 -2.021271774e-02 5.04 -1.819460724e-02 -1.819460724e-02 5.06 -1.631556015e-02 -1.631556015e-02 5.08 -1.457534649e-02 -1.457534649e-02 5.10 -1.297251005e-02 -1.297251005e-02 5.12 -1.150448280e-02 -1.150448280e-02 5.14 -1.016770703e-02 -1.016770703e-02 5.16 -8.957342248e-03 -8.957342248e-03 5.18 -7.867417235e-03 -7.867417235e-03 5.20 -6.891042188e-03 -6.891042188e-03 5.22 -6.020652135e-03 -6.020652135e-03 5.24 -5.248256881e-03 -5.248256881e-03 5.26 -4.565677979e-03 -4.565677979e-03 5.28 -3.964759086e-03 -3.964759086e-03 5.30 -3.437541708e-03 -3.437541708e-03 5.32 -2.976403193e-03 -2.976403193e-03 5.34 -2.574157557e-03 -2.574157557e-03 5.36 -2.224122275e-03 -2.224122275e-03 5.38 -1.920155673e-03 -1.920155673e-03 5.40 -1.656670194e-03 -1.656670194e-03 5.42 -1.428626828e-03 -1.428626828e-03 5.44 -1.231515604e-03 -1.231515604e-03 5.46 -1.061326404e-03 -1.061326404e-03 5.48 -9.145136652e-04 -9.145136652e-04 5.50 -7.879577897e-04 -7.879577897e-04 5.52 -6.789254333e-04 -6.789254333e-04 5.54 -5.850302583e-04 -5.850302583e-04 5.56 -5.041952571e-04 -5.041952571e-04 5.58 -4.346173640e-04 -4.346173640e-04 5.60 -3.747347788e-04 -3.747347788e-04 5.62 -3.231971962e-04 -3.231971962e-04 5.64 -2.788389782e-04 -2.788389782e-04 5.66 -2.406551922e-04 -2.406551922e-04 5.68 -2.077803655e-04 -2.077803655e-04 5.70 -1.794697627e-04 -1.794697627e-04 5.72 -1.550829709e-04 -1.550829709e-04 5.74 -1.340695669e-04 -1.340695669e-04 5.76 -1.159566501e-04 -1.159566501e-04 5.78 -1.003380269e-04 -1.003380269e-04 5.80 -8.686485401e-05 -8.686485401e-05 5.82 -7.523755879e-05 -7.523755879e-05 5.84 -6.519887525e-05 -6.519887525e-05 5.86 -5.652784950e-05 -5.652784950e-05 5.88 -4.903468605e-05 -4.903468605e-05 5.90 -4.255632098e-05 -4.255632098e-05 5.92 -3.695262217e-05 -3.695262217e-05 5.94 -3.210312983e-05 -3.210312983e-05 5.96 -2.790426140e-05 -2.790426140e-05 5.98 -2.426691573e-05 -2.426691573e-05 6.00 -2.111441957e-05 -2.111441957e-05