# 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 = FeNi2Pt # 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 1.860392562e+02 1.860392562e+02 1.30 1.711141757e+02 1.711141757e+02 1.32 1.573185018e+02 1.573185018e+02 1.34 1.445720525e+02 1.445720525e+02 1.36 1.328002932e+02 1.328002932e+02 1.38 1.219280687e+02 1.219280687e+02 1.40 1.118779744e+02 1.118779744e+02 1.42 1.025736294e+02 1.025736294e+02 1.44 9.394464971e+01 9.394464971e+01 1.46 8.593065549e+01 8.593065549e+01 1.48 7.848276126e+01 7.848276126e+01 1.50 7.156189336e+01 7.156189336e+01 1.52 6.513469911e+01 6.513469911e+01 1.54 5.916922667e+01 5.916922667e+01 1.56 5.363258477e+01 5.363258477e+01 1.58 4.849106611e+01 4.849106611e+01 1.60 4.371158504e+01 4.371158504e+01 1.62 3.926320506e+01 3.926320506e+01 1.64 3.511821888e+01 3.511821888e+01 1.66 3.127444730e+01 3.127444730e+01 1.68 2.776554188e+01 2.776554188e+01 1.70 2.456807326e+01 2.456807326e+01 1.72 2.165811023e+01 2.165811023e+01 1.74 1.901345310e+01 1.901345310e+01 1.76 1.661279944e+01 1.661279944e+01 1.78 1.443553639e+01 1.443553639e+01 1.80 1.246201923e+01 1.246201923e+01 1.82 1.067392283e+01 1.067392283e+01 1.84 9.054385978e+00 9.054385978e+00 1.86 7.587938734e+00 7.587938734e+00 1.88 6.260331611e+00 6.260331611e+00 1.90 5.058388359e+00 5.058388359e+00 1.92 3.969955101e+00 3.969955101e+00 1.94 2.983944510e+00 2.983944510e+00 1.96 2.090414703e+00 2.090414703e+00 1.98 1.280608684e+00 1.280608684e+00 2.00 5.469060651e-01 5.469060651e-01 2.02 -1.173126669e-01 -1.173126669e-01 2.04 -7.178456807e-01 -7.178456807e-01 2.06 -1.259840873e+00 -1.259840873e+00 2.08 -1.747930738e+00 -1.747930738e+00 2.10 -2.186330651e+00 -2.186330651e+00 2.12 -2.578909922e+00 -2.578909922e+00 2.14 -2.929241743e+00 -2.929241743e+00 2.16 -3.240635721e+00 -3.240635721e+00 2.18 -3.516159201e+00 -3.516159201e+00 2.20 -3.758655157e+00 -3.758655157e+00 2.22 -3.970760947e+00 -3.970760947e+00 2.24 -4.154927262e+00 -4.154927262e+00 2.26 -4.313435950e+00 -4.313435950e+00 2.28 -4.448419008e+00 -4.448419008e+00 2.30 -4.561882558e+00 -4.561882558e+00 2.32 -4.656345745e+00 -4.656345745e+00 2.34 -4.734919266e+00 -4.734919266e+00 2.36 -4.798830130e+00 -4.798830130e+00 2.38 -4.849203902e+00 -4.849203902e+00 2.40 -4.887118908e+00 -4.887118908e+00 2.42 -4.913574245e+00 -4.913574245e+00 2.44 -4.929480132e+00 -4.929480132e+00 2.46 -4.935671242e+00 -4.935671242e+00 2.48 -4.932935250e+00 -4.932935250e+00 2.50 -4.922038563e+00 -4.922038563e+00 2.52 -4.903748242e+00 -4.903748242e+00 2.54 -4.878836591e+00 -4.878836591e+00 2.56 -4.848060392e+00 -4.848060392e+00 2.58 -4.812126746e+00 -4.812126746e+00 2.60 -4.771659094e+00 -4.771659094e+00 2.62 -4.727171008e+00 -4.727171008e+00 2.64 -4.678897409e+00 -4.678897409e+00 2.66 -4.626845545e+00 -4.626845545e+00 2.68 -4.571047490e+00 -4.571047490e+00 2.70 -4.511582819e+00 -4.511582819e+00 2.72 -4.448585576e+00 -4.448585576e+00 2.74 -4.382244978e+00 -4.382244978e+00 2.76 -4.312798128e+00 -4.312798128e+00 2.78 -4.240515857e+00 -4.240515857e+00 2.80 -4.165679165e+00 -4.165679165e+00 2.82 -4.088502975e+00 -4.088502975e+00 2.84 -4.009169833e+00 -4.009169833e+00 2.86 -3.927876401e+00 -3.927876401e+00 2.88 -3.844838612e+00 -3.844838612e+00 2.90 -3.760300324e+00 -3.760300324e+00 2.92 -3.674541701e+00 -3.674541701e+00 2.94 -3.587882695e+00 -3.587882695e+00 2.96 -3.500677966e+00 -3.500677966e+00 2.98 -3.413324053e+00 -3.413324053e+00 3.00 -3.326381918e+00 -3.326381918e+00 3.02 -3.240390484e+00 -3.240390484e+00 3.04 -3.155738490e+00 -3.155738490e+00 3.06 -3.072666222e+00 -3.072666222e+00 3.08 -2.991283120e+00 -2.991283120e+00 3.10 -2.911596850e+00 -2.911596850e+00 3.12 -2.833547656e+00 -2.833547656e+00 3.14 -2.757041831e+00 -2.757041831e+00 3.16 -2.681979849e+00 -2.681979849e+00 3.18 -2.608277024e+00 -2.608277024e+00 3.20 -2.535876388e+00 -2.535876388e+00 3.22 -2.464754674e+00 -2.464754674e+00 3.24 -2.394922706e+00 -2.394922706e+00 3.26 -2.326421578e+00 -2.326421578e+00 3.28 -2.259315915e+00 -2.259315915e+00 3.30 -2.193685326e+00 -2.193685326e+00 3.32 -2.129615132e+00 -2.129615132e+00 3.34 -2.067187323e+00 -2.067187323e+00 3.36 -2.006472573e+00 -2.006472573e+00 3.38 -1.947523970e+00 -1.947523970e+00 3.40 -1.890372849e+00 -1.890372849e+00 3.42 -1.835026835e+00 -1.835026835e+00 3.44 -1.781469935e+00 -1.781469935e+00 3.46 -1.729664338e+00 -1.729664338e+00 3.48 -1.679553444e+00 -1.679553444e+00 3.50 -1.631065632e+00 -1.631065632e+00 3.52 -1.584118318e+00 -1.584118318e+00 3.54 -1.538621923e+00 -1.538621923e+00 3.56 -1.494483484e+00 -1.494483484e+00 3.58 -1.451609744e+00 -1.451609744e+00 3.60 -1.409909627e+00 -1.409909627e+00 3.62 -1.369296119e+00 -1.369296119e+00 3.64 -1.329687619e+00 -1.329687619e+00 3.66 -1.291008878e+00 -1.291008878e+00 3.68 -1.253191690e+00 -1.253191690e+00 3.70 -1.216175460e+00 -1.216175460e+00 3.72 -1.179907787e+00 -1.179907787e+00 3.74 -1.144345109e+00 -1.144345109e+00 3.76 -1.109453386e+00 -1.109453386e+00 3.78 -1.075208716e+00 -1.075208716e+00 3.80 -1.041597655e+00 -1.041597655e+00 3.82 -1.008617019e+00 -1.008617019e+00 3.84 -9.762729053e-01 -9.762729053e-01 3.86 -9.445787877e-01 -9.445787877e-01 3.88 -9.135526941e-01 -9.135526941e-01 3.90 -8.832136933e-01 -8.832136933e-01 3.92 -8.535781133e-01 -8.535781133e-01 3.94 -8.246560521e-01 -8.246560521e-01 3.96 -7.964487222e-01 -7.964487222e-01 3.98 -7.689470832e-01 -7.689470832e-01 4.00 -7.421319464e-01 -7.421319464e-01 4.02 -7.159755073e-01 -7.159755073e-01 4.04 -6.904440267e-01 -6.904440267e-01 4.06 -6.655012417e-01 -6.655012417e-01 4.08 -6.411120254e-01 -6.411120254e-01 4.10 -6.172458296e-01 -6.172458296e-01 4.12 -5.938795264e-01 -5.938795264e-01 4.14 -5.709992867e-01 -5.709992867e-01 4.16 -5.486013607e-01 -5.486013607e-01 4.18 -5.266916355e-01 -5.266916355e-01 4.20 -5.052840634e-01 -5.052840634e-01 4.22 -4.843981808e-01 -4.843981808e-01 4.24 -4.640560774e-01 -4.640560774e-01 4.26 -4.442792580e-01 -4.442792580e-01 4.28 -4.250858519e-01 -4.250858519e-01 4.30 -4.064885522e-01 -4.064885522e-01 4.32 -3.884935183e-01 -3.884935183e-01 4.34 -3.711002922e-01 -3.711002922e-01 4.36 -3.543025946e-01 -3.543025946e-01 4.38 -3.380897234e-01 -3.380897234e-01 4.40 -3.224482032e-01 -3.224482032e-01 4.42 -3.073633305e-01 -3.073633305e-01 4.44 -2.928203248e-01 -2.928203248e-01 4.46 -2.788049060e-01 -2.788049060e-01 4.48 -2.653032534e-01 -2.653032534e-01 4.50 -2.523014325e-01 -2.523014325e-01 4.52 -2.397844787e-01 -2.397844787e-01 4.54 -2.277353892e-01 -2.277353892e-01 4.56 -2.161342776e-01 -2.161342776e-01 4.58 -2.049579087e-01 -2.049579087e-01 4.60 -1.941797456e-01 -1.941797456e-01 4.62 -1.837705554e-01 -1.837705554e-01 4.64 -1.736995183e-01 -1.736995183e-01 4.66 -1.639357397e-01 -1.639357397e-01 4.68 -1.544499873e-01 -1.544499873e-01 4.70 -1.452164579e-01 -1.452164579e-01 4.72 -1.362144620e-01 -1.362144620e-01 4.74 -1.274305018e-01 -1.274305018e-01 4.76 -1.188569915e-01 -1.188569915e-01 4.78 -1.104945498e-01 -1.104945498e-01 4.80 -1.023519710e-01 -1.023519710e-01 4.82 -9.444503101e-02 -9.444503101e-02 4.84 -8.679522455e-02 -8.679522455e-02 4.86 -7.942806287e-02 -7.942806287e-02 4.88 -7.237106921e-02 -7.237106921e-02 4.90 -6.565165381e-02 -6.565165381e-02 4.92 -5.929506016e-02 -5.929506016e-02 4.94 -5.332256359e-02 -5.332256359e-02 4.96 -4.775006733e-02 -4.775006733e-02 4.98 -4.258718765e-02 -4.258718765e-02 5.00 -3.783685785e-02 -3.783685785e-02 5.02 -3.349542144e-02 -3.349542144e-02 5.04 -2.955313806e-02 -2.955313806e-02 5.06 -2.599499635e-02 -2.599499635e-02 5.08 -2.280171622e-02 -2.280171622e-02 5.10 -1.995082811e-02 -1.995082811e-02 5.12 -1.741774120e-02 -1.741774120e-02 5.14 -1.517672434e-02 -1.517672434e-02 5.16 -1.320169377e-02 -1.320169377e-02 5.18 -1.146666074e-02 -1.146666074e-02 5.20 -9.947201914e-03 -9.947201914e-03 5.22 -8.620204638e-03 -8.620204638e-03 5.24 -7.464031859e-03 -7.464031859e-03 5.26 -6.458717725e-03 -6.458717725e-03 5.28 -5.586056169e-03 -5.586056169e-03 5.30 -4.829608986e-03 -4.829608986e-03 5.32 -4.174656197e-03 -4.174656197e-03 5.34 -3.608107401e-03 -3.608107401e-03 5.36 -3.118388921e-03 -3.118388921e-03 5.38 -2.695318034e-03 -2.695318034e-03 5.40 -2.329972593e-03 -2.329972593e-03 5.42 -2.014561948e-03 -2.014561948e-03 5.44 -1.742303097e-03 -1.742303097e-03 5.46 -1.507304599e-03 -1.507304599e-03 5.48 -1.304459611e-03 -1.304459611e-03 5.50 -1.129348695e-03 -1.129348695e-03 5.52 -9.781524265e-04 -9.781524265e-04 5.54 -8.475734967e-04 -8.475734967e-04 5.56 -7.347677769e-04 -7.347677769e-04 5.58 -6.372836484e-04 -6.372836484e-04 5.60 -5.530088695e-04 -5.530088695e-04 5.62 -4.801242210e-04 -4.801242210e-04 5.64 -4.170631962e-04 -4.170631962e-04 5.66 -3.624770405e-04 -3.624770405e-04 5.68 -3.152044971e-04 -3.152044971e-04 5.70 -2.742456717e-04 -2.742456717e-04 5.72 -2.387394891e-04 -2.387394891e-04 5.74 -2.079442698e-04 -2.079442698e-04 5.76 -1.812210118e-04 -1.812210118e-04 5.78 -1.580190096e-04 -1.580190096e-04 5.80 -1.378634919e-04 -1.378634919e-04 5.82 -1.203449981e-04 -1.203449981e-04 5.84 -1.051102514e-04 -1.051102514e-04 5.86 -9.185431910e-05 -9.185431910e-05 5.88 -8.031387842e-05 -8.031387842e-05 5.90 -7.026143264e-05 -7.026143264e-05 5.92 -6.150034189e-05 -6.150034189e-05 5.94 -5.386055375e-05 -5.386055375e-05 5.96 -4.719493411e-05 -4.719493411e-05 5.98 -4.137611300e-05 -4.137611300e-05 6.00 -3.629377237e-05 -3.629377237e-05