# 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 = MoTi2Zr # 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 3.157565773e+02 3.157565773e+02 1.30 2.928723174e+02 2.928723174e+02 1.32 2.716850821e+02 2.716850821e+02 1.34 2.520554237e+02 2.520554237e+02 1.36 2.338548555e+02 2.338548555e+02 1.38 2.169661711e+02 2.169661711e+02 1.40 2.012832492e+02 2.012832492e+02 1.42 1.867101651e+02 1.867101651e+02 1.44 1.731603451e+02 1.731603451e+02 1.46 1.605560513e+02 1.605560513e+02 1.48 1.488276735e+02 1.488276735e+02 1.50 1.379125132e+02 1.379125132e+02 1.52 1.277534564e+02 1.277534564e+02 1.54 1.182979966e+02 1.182979966e+02 1.56 1.094977915e+02 1.094977915e+02 1.58 1.013084617e+02 1.013084617e+02 1.60 9.368917537e+01 9.368917537e+01 1.62 8.660196539e+01 8.660196539e+01 1.64 8.001105712e+01 8.001105712e+01 1.66 7.388237193e+01 7.388237193e+01 1.68 6.818327023e+01 6.818327023e+01 1.70 6.288263236e+01 6.288263236e+01 1.72 5.795113102e+01 5.795113102e+01 1.74 5.336151917e+01 5.336151917e+01 1.76 4.908869465e+01 4.908869465e+01 1.78 4.510955557e+01 4.510955557e+01 1.80 4.140277418e+01 4.140277418e+01 1.82 3.794866654e+01 3.794866654e+01 1.84 3.472910100e+01 3.472910100e+01 1.86 3.172749811e+01 3.172749811e+01 1.88 2.892879210e+01 2.892879210e+01 1.90 2.631932873e+01 2.631932873e+01 1.92 2.388684400e+01 2.388684400e+01 1.94 2.162050357e+01 2.162050357e+01 1.96 1.951170508e+01 1.951170508e+01 1.98 1.755076668e+01 1.755076668e+01 2.00 1.572809646e+01 1.572809646e+01 2.02 1.403463655e+01 1.403463655e+01 2.04 1.246177527e+01 1.246177527e+01 2.06 1.100127722e+01 1.100127722e+01 2.08 9.645261096e+00 9.645261096e+00 2.10 8.386237275e+00 8.386237275e+00 2.12 7.217175212e+00 7.217175212e+00 2.14 6.131562698e+00 6.131562698e+00 2.16 5.123445431e+00 5.123445431e+00 2.18 4.187416852e+00 4.187416852e+00 2.20 3.318571552e+00 3.318571552e+00 2.22 2.512417615e+00 2.512417615e+00 2.24 1.764793862e+00 1.764793862e+00 2.26 1.071812668e+00 1.071812668e+00 2.28 4.298258536e-01 4.298258536e-01 2.30 -1.645605552e-01 -1.645605552e-01 2.32 -7.145034018e-01 -7.145034018e-01 2.34 -1.222904409e+00 -1.222904409e+00 2.36 -1.692436594e+00 -1.692436594e+00 2.38 -2.125565188e+00 -2.125565188e+00 2.40 -2.524580540e+00 -2.524580540e+00 2.42 -2.891637346e+00 -2.891637346e+00 2.44 -3.228780902e+00 -3.228780902e+00 2.46 -3.537967657e+00 -3.537967657e+00 2.48 -3.821065249e+00 -3.821065249e+00 2.50 -4.079839958e+00 -4.079839958e+00 2.52 -4.315937429e+00 -4.315937429e+00 2.54 -4.530864315e+00 -4.530864315e+00 2.56 -4.725977182e+00 -4.725977182e+00 2.58 -4.902482844e+00 -4.902482844e+00 2.60 -5.061451400e+00 -5.061451400e+00 2.62 -5.203837954e+00 -5.203837954e+00 2.64 -5.330518864e+00 -5.330518864e+00 2.66 -5.442308004e+00 -5.442308004e+00 2.68 -5.539989160e+00 -5.539989160e+00 2.70 -5.624330112e+00 -5.624330112e+00 2.72 -5.696118034e+00 -5.696118034e+00 2.74 -5.756149917e+00 -5.756149917e+00 2.76 -5.805100333e+00 -5.805100333e+00 2.78 -5.843634702e+00 -5.843634702e+00 2.80 -5.872338691e+00 -5.872338691e+00 2.82 -5.891819248e+00 -5.891819248e+00 2.84 -5.902784532e+00 -5.902784532e+00 2.86 -5.905898473e+00 -5.905898473e+00 2.88 -5.901670516e+00 -5.901670516e+00 2.90 -5.890427878e+00 -5.890427878e+00 2.92 -5.872520271e+00 -5.872520271e+00 2.94 -5.848380352e+00 -5.848380352e+00 2.96 -5.818323992e+00 -5.818323992e+00 2.98 -5.782657764e+00 -5.782657764e+00 3.00 -5.741615491e+00 -5.741615491e+00 3.02 -5.695480413e+00 -5.695480413e+00 3.04 -5.644600825e+00 -5.644600825e+00 3.06 -5.589377135e+00 -5.589377135e+00 3.08 -5.530220083e+00 -5.530220083e+00 3.10 -5.467522287e+00 -5.467522287e+00 3.12 -5.401516315e+00 -5.401516315e+00 3.14 -5.332350108e+00 -5.332350108e+00 3.16 -5.260152460e+00 -5.260152460e+00 3.18 -5.185041202e+00 -5.185041202e+00 3.20 -5.107124659e+00 -5.107124659e+00 3.22 -5.026507814e+00 -5.026507814e+00 3.24 -4.943299533e+00 -4.943299533e+00 3.26 -4.857620016e+00 -4.857620016e+00 3.28 -4.769607741e+00 -4.769607741e+00 3.30 -4.679424982e+00 -4.679424982e+00 3.32 -4.587261019e+00 -4.587261019e+00 3.34 -4.493332639e+00 -4.493332639e+00 3.36 -4.397882171e+00 -4.397882171e+00 3.38 -4.301173996e+00 -4.301173996e+00 3.40 -4.203489577e+00 -4.203489577e+00 3.42 -4.105127726e+00 -4.105127726e+00 3.44 -4.006394747e+00 -4.006394747e+00 3.46 -3.907605574e+00 -3.907605574e+00 3.48 -3.809078556e+00 -3.809078556e+00 3.50 -3.711130410e+00 -3.711130410e+00 3.52 -3.614069895e+00 -3.614069895e+00 3.54 -3.518190267e+00 -3.518190267e+00 3.56 -3.423760939e+00 -3.423760939e+00 3.58 -3.331019092e+00 -3.331019092e+00 3.60 -3.240162277e+00 -3.240162277e+00 3.62 -3.151343131e+00 -3.151343131e+00 3.64 -3.064667123e+00 -3.064667123e+00 3.66 -2.980193749e+00 -2.980193749e+00 3.68 -2.897940966e+00 -2.897940966e+00 3.70 -2.817892133e+00 -2.817892133e+00 3.72 -2.740004404e+00 -2.740004404e+00 3.74 -2.664217522e+00 -2.664217522e+00 3.76 -2.590462155e+00 -2.590462155e+00 3.78 -2.518667138e+00 -2.518667138e+00 3.80 -2.448765215e+00 -2.448765215e+00 3.82 -2.380697061e+00 -2.380697061e+00 3.84 -2.314413453e+00 -2.314413453e+00 3.86 -2.249875586e+00 -2.249875586e+00 3.88 -2.187053736e+00 -2.187053736e+00 3.90 -2.125924597e+00 -2.125924597e+00 3.92 -2.066466187e+00 -2.066466187e+00 3.94 -2.008661595e+00 -2.008661595e+00 3.96 -1.952484694e+00 -1.952484694e+00 3.98 -1.897906293e+00 -1.897906293e+00 4.00 -1.844891282e+00 -1.844891282e+00 4.02 -1.793398990e+00 -1.793398990e+00 4.04 -1.743384308e+00 -1.743384308e+00 4.06 -1.694799212e+00 -1.694799212e+00 4.08 -1.647594342e+00 -1.647594342e+00 4.10 -1.601715765e+00 -1.601715765e+00 4.12 -1.557125460e+00 -1.557125460e+00 4.14 -1.513771425e+00 -1.513771425e+00 4.16 -1.471609645e+00 -1.471609645e+00 4.18 -1.430598512e+00 -1.430598512e+00 4.20 -1.390698802e+00 -1.390698802e+00 4.22 -1.351873541e+00 -1.351873541e+00 4.24 -1.314087819e+00 -1.314087819e+00 4.26 -1.277308603e+00 -1.277308603e+00 4.28 -1.241504555e+00 -1.241504555e+00 4.30 -1.206645889e+00 -1.206645889e+00 4.32 -1.172704259e+00 -1.172704259e+00 4.34 -1.139652682e+00 -1.139652682e+00 4.36 -1.107465473e+00 -1.107465473e+00 4.38 -1.076118197e+00 -1.076118197e+00 4.40 -1.045587618e+00 -1.045587618e+00 4.42 -1.015851636e+00 -1.015851636e+00 4.44 -9.868892046e-01 -9.868892046e-01 4.46 -9.586802317e-01 -9.586802317e-01 4.48 -9.312054592e-01 -9.312054592e-01 4.50 -9.044463283e-01 -9.044463283e-01 4.52 -8.783848379e-01 -8.783848379e-01 4.54 -8.530034028e-01 -8.530034028e-01 4.56 -8.282847195e-01 -8.282847195e-01 4.58 -8.042116475e-01 -8.042116475e-01 4.60 -7.807671104e-01 -7.807671104e-01 4.62 -7.579340219e-01 -7.579340219e-01 4.64 -7.356952387e-01 -7.356952387e-01 4.66 -7.140335424e-01 -7.140335424e-01 4.68 -6.929316507e-01 -6.929316507e-01 4.70 -6.723722591e-01 -6.723722591e-01 4.72 -6.523381132e-01 -6.523381132e-01 4.74 -6.328121116e-01 -6.328121116e-01 4.76 -6.137774412e-01 -6.137774412e-01 4.78 -5.952177425e-01 -5.952177425e-01 4.80 -5.771141699e-01 -5.771141699e-01 4.82 -5.594586928e-01 -5.594586928e-01 4.84 -5.422338327e-01 -5.422338327e-01 4.86 -5.254272562e-01 -5.254272562e-01 4.88 -5.090282402e-01 -5.090282402e-01 4.90 -4.930278843e-01 -4.930278843e-01 4.92 -4.774192629e-01 -4.774192629e-01 4.94 -4.621974840e-01 -4.621974840e-01 4.96 -4.473596245e-01 -4.473596245e-01 4.98 -4.329045181e-01 -4.329045181e-01 5.00 -4.188323864e-01 -4.188323864e-01 5.02 -4.051443234e-01 -4.051443234e-01 5.04 -3.918416664e-01 -3.918416664e-01 5.06 -3.789253066e-01 -3.789253066e-01 5.08 -3.663950096e-01 -3.663950096e-01 5.10 -3.542488159e-01 -3.542488159e-01 5.12 -3.424825876e-01 -3.424825876e-01 5.14 -3.310897424e-01 -3.310897424e-01 5.16 -3.200611965e-01 -3.200611965e-01 5.18 -3.093855047e-01 -3.093855047e-01 5.20 -2.990491696e-01 -2.990491696e-01 5.22 -2.890370746e-01 -2.890370746e-01 5.24 -2.793329897e-01 -2.793329897e-01 5.26 -2.699201060e-01 -2.699201060e-01 5.28 -2.607815559e-01 -2.607815559e-01 5.30 -2.519008920e-01 -2.519008920e-01 5.32 -2.432625022e-01 -2.432625022e-01 5.34 -2.348519479e-01 -2.348519479e-01 5.36 -2.266562169e-01 -2.266562169e-01 5.38 -2.186638867e-01 -2.186638867e-01 5.40 -2.108651941e-01 -2.108651941e-01 5.42 -2.032520141e-01 -2.032520141e-01 5.44 -1.958177504e-01 -1.958177504e-01 5.46 -1.885571504e-01 -1.885571504e-01 5.48 -1.814660608e-01 -1.814660608e-01 5.50 -1.745411492e-01 -1.745411492e-01 5.52 -1.677796217e-01 -1.677796217e-01 5.54 -1.611789702e-01 -1.611789702e-01 5.56 -1.547367780e-01 -1.547367780e-01 5.58 -1.484506108e-01 -1.484506108e-01 5.60 -1.423180026e-01 -1.423180026e-01 5.62 -1.363365388e-01 -1.363365388e-01 5.64 -1.305040188e-01 -1.305040188e-01 5.66 -1.248186736e-01 -1.248186736e-01 5.68 -1.192794001e-01 -1.192794001e-01 5.70 -1.138859727e-01 -1.138859727e-01 5.72 -1.086391937e-01 -1.086391937e-01 5.74 -1.035409527e-01 -1.035409527e-01 5.76 -9.859416806e-02 -9.859416806e-02 5.78 -9.380260752e-02 -9.380260752e-02 5.80 -8.917059570e-02 -8.917059570e-02 5.82 -8.470263157e-02 -8.470263157e-02 5.84 -8.040294802e-02 -8.040294802e-02 5.86 -7.627506726e-02 -7.627506726e-02 5.88 -7.232138492e-02 -7.232138492e-02 5.90 -6.854282669e-02 -6.854282669e-02 5.92 -6.493855555e-02 -6.493855555e-02 5.94 -6.150575326e-02 -6.150575326e-02 5.96 -5.823997225e-02 -5.823997225e-02 5.98 -5.513528151e-02 -5.513528151e-02 6.00 -5.218421744e-02 -5.218421744e-02