# 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 = Al2FePt # 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 1.677642237e+02 1.677642237e+02 1.30 1.554604104e+02 1.554604104e+02 1.32 1.440243271e+02 1.440243271e+02 1.34 1.333968755e+02 1.333968755e+02 1.36 1.235220016e+02 1.235220016e+02 1.38 1.143409961e+02 1.143409961e+02 1.40 1.057919203e+02 1.057919203e+02 1.42 9.781427991e+01 9.781427991e+01 1.44 9.035513096e+01 9.035513096e+01 1.46 8.337294620e+01 8.337294620e+01 1.48 7.683718999e+01 7.683718999e+01 1.50 7.072387739e+01 7.072387739e+01 1.52 6.501001052e+01 6.501001052e+01 1.54 5.967022894e+01 5.967022894e+01 1.56 5.467670621e+01 5.467670621e+01 1.58 5.000099739e+01 5.000099739e+01 1.60 4.561616600e+01 4.561616600e+01 1.62 4.149838269e+01 4.149838269e+01 1.64 3.764114557e+01 3.764114557e+01 1.66 3.408391385e+01 3.408391385e+01 1.68 3.081288565e+01 3.081288565e+01 1.70 2.781171140e+01 2.781171140e+01 1.72 2.506369747e+01 2.506369747e+01 1.74 2.255005996e+01 2.255005996e+01 1.76 2.025164121e+01 2.025164121e+01 1.78 1.814924444e+01 1.814924444e+01 1.80 1.622434813e+01 1.622434813e+01 1.82 1.445983524e+01 1.445983524e+01 1.84 1.284040050e+01 1.284040050e+01 1.86 1.135256278e+01 1.135256278e+01 1.88 9.984445782e+00 9.984445782e+00 1.90 8.725534584e+00 8.725534584e+00 1.92 7.566509954e+00 7.566509954e+00 1.94 6.499137213e+00 6.499137213e+00 1.96 5.516141312e+00 5.516141312e+00 1.98 4.611037374e+00 4.611037374e+00 2.00 3.777945401e+00 3.777945401e+00 2.02 3.011444653e+00 3.011444653e+00 2.04 2.306501382e+00 2.306501382e+00 2.06 1.658454397e+00 1.658454397e+00 2.08 1.063011903e+00 1.063011903e+00 2.10 5.162252331e-01 5.162252331e-01 2.12 1.443977616e-02 1.443977616e-02 2.14 -4.457534236e-01 -4.457534236e-01 2.16 -8.675434703e-01 -8.675434703e-01 2.18 -1.253897565e+00 -1.253897565e+00 2.20 -1.607541693e+00 -1.607541693e+00 2.22 -1.930940517e+00 -1.930940517e+00 2.24 -2.226288639e+00 -2.226288639e+00 2.26 -2.495517100e+00 -2.495517100e+00 2.28 -2.740312469e+00 -2.740312469e+00 2.30 -2.962143611e+00 -2.962143611e+00 2.32 -3.162292749e+00 -3.162292749e+00 2.34 -3.341888859e+00 -3.341888859e+00 2.36 -3.501943632e+00 -3.501943632e+00 2.38 -3.644181438e+00 -3.644181438e+00 2.40 -3.769957634e+00 -3.769957634e+00 2.42 -3.879824489e+00 -3.879824489e+00 2.44 -3.974389882e+00 -3.974389882e+00 2.46 -4.054327197e+00 -4.054327197e+00 2.48 -4.120383937e+00 -4.120383937e+00 2.50 -4.173391211e+00 -4.173391211e+00 2.52 -4.214273305e+00 -4.214273305e+00 2.54 -4.244053065e+00 -4.244053065e+00 2.56 -4.263846912e+00 -4.263846912e+00 2.58 -4.274843894e+00 -4.274843894e+00 2.60 -4.278265657e+00 -4.278265657e+00 2.62 -4.275308469e+00 -4.275308469e+00 2.64 -4.267074634e+00 -4.267074634e+00 2.66 -4.254506698e+00 -4.254506698e+00 2.68 -4.238340740e+00 -4.238340740e+00 2.70 -4.219090118e+00 -4.219090118e+00 2.72 -4.197254480e+00 -4.197254480e+00 2.74 -4.174028100e+00 -4.174028100e+00 2.76 -4.149188660e+00 -4.149188660e+00 2.78 -4.122295142e+00 -4.122295142e+00 2.80 -4.092964828e+00 -4.092964828e+00 2.82 -4.060885780e+00 -4.060885780e+00 2.84 -4.025824041e+00 -4.025824041e+00 2.86 -3.987626970e+00 -3.987626970e+00 2.88 -3.946224744e+00 -3.946224744e+00 2.90 -3.901632194e+00 -3.901632194e+00 2.92 -3.853958584e+00 -3.853958584e+00 2.94 -3.803371155e+00 -3.803371155e+00 2.96 -3.750100725e+00 -3.750100725e+00 2.98 -3.694451839e+00 -3.694451839e+00 3.00 -3.636784188e+00 -3.636784188e+00 3.02 -3.577489063e+00 -3.577489063e+00 3.04 -3.516964033e+00 -3.516964033e+00 3.06 -3.455589227e+00 -3.455589227e+00 3.08 -3.393707659e+00 -3.393707659e+00 3.10 -3.331611277e+00 -3.331611277e+00 3.12 -3.269533226e+00 -3.269533226e+00 3.14 -3.207646755e+00 -3.207646755e+00 3.16 -3.146085304e+00 -3.146085304e+00 3.18 -3.084961881e+00 -3.084961881e+00 3.20 -3.024346471e+00 -3.024346471e+00 3.22 -2.964279710e+00 -2.964279710e+00 3.24 -2.904788781e+00 -2.904788781e+00 3.26 -2.845899027e+00 -2.845899027e+00 3.28 -2.787640949e+00 -2.787640949e+00 3.30 -2.730052932e+00 -2.730052932e+00 3.32 -2.673180606e+00 -2.673180606e+00 3.34 -2.617073991e+00 -2.617073991e+00 3.36 -2.561783620e+00 -2.561783620e+00 3.38 -2.507356670e+00 -2.507356670e+00 3.40 -2.453833810e+00 -2.453833810e+00 3.42 -2.401247184e+00 -2.401247184e+00 3.44 -2.349619547e+00 -2.349619547e+00 3.46 -2.298964466e+00 -2.298964466e+00 3.48 -2.249287220e+00 -2.249287220e+00 3.50 -2.200586095e+00 -2.200586095e+00 3.52 -2.152853772e+00 -2.152853772e+00 3.54 -2.106078591e+00 -2.106078591e+00 3.56 -2.060245552e+00 -2.060245552e+00 3.58 -2.015337029e+00 -2.015337029e+00 3.60 -1.971333185e+00 -1.971333185e+00 3.62 -1.928212145e+00 -1.928212145e+00 3.64 -1.885949993e+00 -1.885949993e+00 3.66 -1.844520664e+00 -1.844520664e+00 3.68 -1.803895782e+00 -1.803895782e+00 3.70 -1.764044529e+00 -1.764044529e+00 3.72 -1.724933553e+00 -1.724933553e+00 3.74 -1.686526984e+00 -1.686526984e+00 3.76 -1.648786540e+00 -1.648786540e+00 3.78 -1.611671758e+00 -1.611671758e+00 3.80 -1.575140310e+00 -1.575140310e+00 3.82 -1.539148405e+00 -1.539148405e+00 3.84 -1.503651242e+00 -1.503651242e+00 3.86 -1.468603481e+00 -1.468603481e+00 3.88 -1.433959729e+00 -1.433959729e+00 3.90 -1.399675001e+00 -1.399675001e+00 3.92 -1.365705187e+00 -1.365705187e+00 3.94 -1.332007546e+00 -1.332007546e+00 3.96 -1.298541186e+00 -1.298541186e+00 3.98 -1.265267704e+00 -1.265267704e+00 4.00 -1.232151930e+00 -1.232151930e+00 4.02 -1.199162872e+00 -1.199162872e+00 4.04 -1.166274889e+00 -1.166274889e+00 4.06 -1.133469086e+00 -1.133469086e+00 4.08 -1.100734907e+00 -1.100734907e+00 4.10 -1.068071788e+00 -1.068071788e+00 4.12 -1.035490860e+00 -1.035490860e+00 4.14 -1.003016181e+00 -1.003016181e+00 4.16 -9.706857011e-01 -9.706857011e-01 4.18 -9.385514152e-01 -9.385514152e-01 4.20 -9.066786787e-01 -9.066786787e-01 4.22 -8.751445770e-01 -8.751445770e-01 4.24 -8.440353686e-01 -8.440353686e-01 4.26 -8.134431249e-01 -8.134431249e-01 4.28 -7.834617722e-01 -7.834617722e-01 4.30 -7.541828021e-01 -7.541828021e-01 4.32 -7.256909420e-01 -7.256909420e-01 4.34 -6.980600856e-01 -6.980600856e-01 4.36 -6.713497665e-01 -6.713497665e-01 4.38 -6.456024238e-01 -6.456024238e-01 4.40 -6.208416488e-01 -6.208416488e-01 4.42 -5.970715160e-01 -5.970715160e-01 4.44 -5.742770013e-01 -5.742770013e-01 4.46 -5.524253818e-01 -5.524253818e-01 4.48 -5.314684281e-01 -5.314684281e-01 4.50 -5.113451440e-01 -5.113451440e-01 4.52 -4.919847953e-01 -4.919847953e-01 4.54 -4.733099980e-01 -4.733099980e-01 4.56 -4.552396857e-01 -4.552396857e-01 4.58 -4.376918404e-01 -4.376918404e-01 4.60 -4.205859331e-01 -4.205859331e-01 4.62 -4.038450706e-01 -4.038450706e-01 4.64 -3.873978746e-01 -3.873978746e-01 4.66 -3.711801356e-01 -3.711801356e-01 4.68 -3.551362779e-01 -3.551362779e-01 4.70 -3.392206557e-01 -3.392206557e-01 4.72 -3.233986765e-01 -3.233986765e-01 4.74 -3.076477199e-01 -3.076477199e-01 4.76 -2.919577956e-01 -2.919577956e-01 4.78 -2.763318708e-01 -2.763318708e-01 4.80 -2.607857781e-01 -2.607857781e-01 4.82 -2.453477171e-01 -2.453477171e-01 4.84 -2.300571313e-01 -2.300571313e-01 4.86 -2.149632138e-01 -2.149632138e-01 4.88 -2.001229004e-01 -2.001229004e-01 4.90 -1.855985186e-01 -1.855985186e-01 4.92 -1.714552024e-01 -1.714552024e-01 4.94 -1.577582144e-01 -1.577582144e-01 4.96 -1.445703227e-01 -1.445703227e-01 4.98 -1.319493674e-01 -1.319493674e-01 5.00 -1.199461347e-01 -1.199461347e-01 5.02 -1.086026419e-01 -1.086026419e-01 5.04 -9.795089220e-02 -9.795089220e-02 5.06 -8.801212650e-02 -8.801212650e-02 5.08 -7.879659704e-02 -7.879659704e-02 5.10 -7.030382733e-02 -7.030382733e-02 5.12 -6.252334055e-02 -6.252334055e-02 5.14 -5.543572440e-02 -5.543572440e-02 5.16 -4.901390788e-02 -4.901390788e-02 5.18 -4.322425603e-02 -4.322425603e-02 5.20 -3.802927305e-02 -3.802927305e-02 5.22 -3.338839392e-02 -3.338839392e-02 5.24 -2.925917715e-02 -2.925917715e-02 5.26 -2.559858807e-02 -2.559858807e-02 5.28 -2.236406140e-02 -2.236406140e-02 5.30 -1.951435657e-02 -1.951435657e-02 5.32 -1.701018235e-02 -1.701018235e-02 5.34 -1.481463628e-02 -1.481463628e-02 5.36 -1.289348491e-02 -1.289348491e-02 5.38 -1.121556176e-02 -1.121556176e-02 5.40 -9.752211271e-03 -9.752211271e-03 5.42 -8.477417561e-03 -8.477417561e-03 5.44 -7.367929421e-03 -7.367929421e-03 5.46 -6.403062899e-03 -6.403062899e-03 5.48 -5.564494057e-03 -5.564494057e-03 5.50 -4.836049301e-03 -4.836049301e-03 5.52 -4.203499153e-03 -4.203499153e-03 5.54 -3.654359904e-03 -3.654359904e-03 5.56 -3.177706254e-03 -3.177706254e-03 5.58 -2.763996915e-03 -2.763996915e-03 5.60 -2.404914284e-03 -2.404914284e-03 5.62 -2.093218543e-03 -2.093218543e-03 5.64 -1.822616025e-03 -1.822616025e-03 5.66 -1.587641326e-03 -1.587641326e-03 5.68 -1.383552360e-03 -1.383552360e-03 5.70 -1.206237434e-03 -1.206237434e-03 5.72 -1.052133321e-03 -1.052133321e-03 5.74 -9.181533024e-04 -9.181533024e-04 5.76 -8.016241646e-04 -8.016241646e-04 5.78 -7.002311859e-04 -7.002311859e-04 5.80 -6.119702021e-04 -6.119702021e-04 5.82 -5.351059230e-04 -5.351059230e-04 5.84 -4.681357388e-04 -4.681357388e-04 5.86 -4.097583336e-04 -4.097583336e-04 5.88 -3.588464973e-04 -3.588464973e-04 5.90 -3.144235921e-04 -3.144235921e-04 5.92 -2.756431975e-04 -2.756431975e-04 5.94 -2.417715119e-04 -2.417715119e-04 5.96 -2.121721445e-04 -2.121721445e-04 5.98 -1.862929746e-04 -1.862929746e-04 6.00 -1.636548008e-04 -1.636548008e-04