# 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 = CuMoTi2 # 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 2.262928772e+02 2.262928772e+02 1.30 2.091156231e+02 2.091156231e+02 1.32 1.932576127e+02 1.932576127e+02 1.34 1.786048031e+02 1.786048031e+02 1.36 1.650512565e+02 1.650512565e+02 1.38 1.525010982e+02 1.525010982e+02 1.40 1.408690067e+02 1.408690067e+02 1.42 1.300795895e+02 1.300795895e+02 1.44 1.200663899e+02 1.200663899e+02 1.46 1.107706840e+02 1.107706840e+02 1.48 1.021399360e+02 1.021399360e+02 1.50 9.412631248e+01 9.412631248e+01 1.52 8.668578507e+01 8.668578507e+01 1.54 7.977780614e+01 7.977780614e+01 1.56 7.336521869e+01 7.336521869e+01 1.58 6.741410150e+01 6.741410150e+01 1.60 6.189344255e+01 6.189344255e+01 1.62 5.677470345e+01 5.677470345e+01 1.64 5.203131476e+01 5.203131476e+01 1.66 4.763808370e+01 4.763808370e+01 1.68 4.357063163e+01 4.357063163e+01 1.70 3.980511946e+01 3.980511946e+01 1.72 3.631839863e+01 3.631839863e+01 1.74 3.308843620e+01 3.308843620e+01 1.76 3.009469937e+01 3.009469937e+01 1.78 2.731834393e+01 2.731834393e+01 1.80 2.474399965e+01 2.474399965e+01 1.82 2.235744389e+01 2.235744389e+01 1.84 2.014463907e+01 2.014463907e+01 1.86 1.809313797e+01 1.809313797e+01 1.88 1.619184268e+01 1.619184268e+01 1.90 1.443068704e+01 1.443068704e+01 1.92 1.280036120e+01 1.280036120e+01 1.94 1.129212615e+01 1.129212615e+01 1.96 9.897746724e+00 9.897746724e+00 1.98 8.609504558e+00 8.609504558e+00 2.00 7.420203114e+00 7.420203114e+00 2.02 6.323107034e+00 6.323107034e+00 2.04 5.311834947e+00 5.311834947e+00 2.06 4.380270576e+00 4.380270576e+00 2.08 3.522539449e+00 3.522539449e+00 2.10 2.733049102e+00 2.733049102e+00 2.12 2.006554188e+00 2.006554188e+00 2.14 1.338206813e+00 1.338206813e+00 2.16 7.235744152e-01 7.235744152e-01 2.18 1.586245420e-01 1.586245420e-01 2.20 -3.603162721e-01 -3.603162721e-01 2.22 -8.366205925e-01 -8.366205925e-01 2.24 -1.273421181e+00 -1.273421181e+00 2.26 -1.673660622e+00 -1.673660622e+00 2.28 -2.040119617e+00 -2.040119617e+00 2.30 -2.375420779e+00 -2.375420779e+00 2.32 -2.682013726e+00 -2.682013726e+00 2.34 -2.962146887e+00 -2.962146887e+00 2.36 -3.217841257e+00 -3.217841257e+00 2.38 -3.450879483e+00 -3.450879483e+00 2.40 -3.662820498e+00 -3.662820498e+00 2.42 -3.855036657e+00 -3.855036657e+00 2.44 -4.028760302e+00 -4.028760302e+00 2.46 -4.185126658e+00 -4.185126658e+00 2.48 -4.325204612e+00 -4.325204612e+00 2.50 -4.450013632e+00 -4.450013632e+00 2.52 -4.560528919e+00 -4.560528919e+00 2.54 -4.657678796e+00 -4.657678796e+00 2.56 -4.742338972e+00 -4.742338972e+00 2.58 -4.815242213e+00 -4.815242213e+00 2.60 -4.877140277e+00 -4.877140277e+00 2.62 -4.928848133e+00 -4.928848133e+00 2.64 -4.971118977e+00 -4.971118977e+00 2.66 -5.004664390e+00 -5.004664390e+00 2.68 -5.030242756e+00 -5.030242756e+00 2.70 -5.048420658e+00 -5.048420658e+00 2.72 -5.059701931e+00 -5.059701931e+00 2.74 -5.064574954e+00 -5.064574954e+00 2.76 -5.063440507e+00 -5.063440507e+00 2.78 -5.056560336e+00 -5.056560336e+00 2.80 -5.044182624e+00 -5.044182624e+00 2.82 -5.026555368e+00 -5.026555368e+00 2.84 -5.003986714e+00 -5.003986714e+00 2.86 -4.976699799e+00 -4.976699799e+00 2.88 -4.944462884e+00 -4.944462884e+00 2.90 -4.907127423e+00 -4.907127423e+00 2.92 -4.864655358e+00 -4.864655358e+00 2.94 -4.817111434e+00 -4.817111434e+00 2.96 -4.764654538e+00 -4.764654538e+00 2.98 -4.707539669e+00 -4.707539669e+00 3.00 -4.646136579e+00 -4.646136579e+00 3.02 -4.580868451e+00 -4.580868451e+00 3.04 -4.512177925e+00 -4.512177925e+00 3.06 -4.440502900e+00 -4.440502900e+00 3.08 -4.366250483e+00 -4.366250483e+00 3.10 -4.289775096e+00 -4.289775096e+00 3.12 -4.211364024e+00 -4.211364024e+00 3.14 -4.131233655e+00 -4.131233655e+00 3.16 -4.049534399e+00 -4.049534399e+00 3.18 -3.966363246e+00 -3.966363246e+00 3.20 -3.881779110e+00 -3.881779110e+00 3.22 -3.795818699e+00 -3.795818699e+00 3.24 -3.708511160e+00 -3.708511160e+00 3.26 -3.619890871e+00 -3.619890871e+00 3.28 -3.530008339e+00 -3.530008339e+00 3.30 -3.438939365e+00 -3.438939365e+00 3.32 -3.346792511e+00 -3.346792511e+00 3.34 -3.253714710e+00 -3.253714710e+00 3.36 -3.159894717e+00 -3.159894717e+00 3.38 -3.065564020e+00 -3.065564020e+00 3.40 -2.970994938e+00 -2.970994938e+00 3.42 -2.876496005e+00 -2.876496005e+00 3.44 -2.782404434e+00 -2.782404434e+00 3.46 -2.689076716e+00 -2.689076716e+00 3.48 -2.596877499e+00 -2.596877499e+00 3.50 -2.506167586e+00 -2.506167586e+00 3.52 -2.417291597e+00 -2.417291597e+00 3.54 -2.330565796e+00 -2.330565796e+00 3.56 -2.246266671e+00 -2.246266671e+00 3.58 -2.164621019e+00 -2.164621019e+00 3.60 -2.085798490e+00 -2.085798490e+00 3.62 -2.009907608e+00 -2.009907608e+00 3.64 -1.936995995e+00 -1.936995995e+00 3.66 -1.867054906e+00 -1.867054906e+00 3.68 -1.800027450e+00 -1.800027450e+00 3.70 -1.735819297e+00 -1.735819297e+00 3.72 -1.674310370e+00 -1.674310370e+00 3.74 -1.615366158e+00 -1.615366158e+00 3.76 -1.558847566e+00 -1.558847566e+00 3.78 -1.504618651e+00 -1.504618651e+00 3.80 -1.452551986e+00 -1.452551986e+00 3.82 -1.402531658e+00 -1.402531658e+00 3.84 -1.354454180e+00 -1.354454180e+00 3.86 -1.308227710e+00 -1.308227710e+00 3.88 -1.263770111e+00 -1.263770111e+00 3.90 -1.221006400e+00 -1.221006400e+00 3.92 -1.179866059e+00 -1.179866059e+00 3.94 -1.140280966e+00 -1.140280966e+00 3.96 -1.102183382e+00 -1.102183382e+00 3.98 -1.065505242e+00 -1.065505242e+00 4.00 -1.030177815e+00 -1.030177815e+00 4.02 -9.961319583e-01 -9.961319583e-01 4.04 -9.632987015e-01 -9.632987015e-01 4.06 -9.316099829e-01 -9.316099829e-01 4.08 -9.009993896e-01 -9.009993896e-01 4.10 -8.714026734e-01 -8.714026734e-01 4.12 -8.427588469e-01 -8.427588469e-01 4.14 -8.150096813e-01 -8.150096813e-01 4.16 -7.881006398e-01 -7.881006398e-01 4.18 -7.619809484e-01 -7.619809484e-01 4.20 -7.366038193e-01 -7.366038193e-01 4.22 -7.119266895e-01 -7.119266895e-01 4.24 -6.879115007e-01 -6.879115007e-01 4.26 -6.645250215e-01 -6.645250215e-01 4.28 -6.417391981e-01 -6.417391981e-01 4.30 -6.195314955e-01 -6.195314955e-01 4.32 -5.978851728e-01 -5.978851728e-01 4.34 -5.767894199e-01 -5.767894199e-01 4.36 -5.562392783e-01 -5.562392783e-01 4.38 -5.362352730e-01 -5.362352730e-01 4.40 -5.167827093e-01 -5.167827093e-01 4.42 -4.978906227e-01 -4.978906227e-01 4.44 -4.795704221e-01 -4.795704221e-01 4.46 -4.618343166e-01 -4.618343166e-01 4.48 -4.446936628e-01 -4.446936628e-01 4.50 -4.281573874e-01 -4.281573874e-01 4.52 -4.122306428e-01 -4.122306428e-01 4.54 -3.969138181e-01 -3.969138181e-01 4.56 -3.822019811e-01 -3.822019811e-01 4.58 -3.680847627e-01 -3.680847627e-01 4.60 -3.545466441e-01 -3.545466441e-01 4.62 -3.415675635e-01 -3.415675635e-01 4.64 -3.291237360e-01 -3.291237360e-01 4.66 -3.171885829e-01 -3.171885829e-01 4.68 -3.057336770e-01 -3.057336770e-01 4.70 -2.947296343e-01 -2.947296343e-01 4.72 -2.841469093e-01 -2.841469093e-01 4.74 -2.739564755e-01 -2.739564755e-01 4.76 -2.641303893e-01 -2.641303893e-01 4.78 -2.546422518e-01 -2.546422518e-01 4.80 -2.454675034e-01 -2.454675034e-01 4.82 -2.365840835e-01 -2.365840835e-01 4.84 -2.279721514e-01 -2.279721514e-01 4.86 -2.196146912e-01 -2.196146912e-01 4.88 -2.114975939e-01 -2.114975939e-01 4.90 -2.036097878e-01 -2.036097878e-01 4.92 -1.959432956e-01 -1.959432956e-01 4.94 -1.884931921e-01 -1.884931921e-01 4.96 -1.812574354e-01 -1.812574354e-01 4.98 -1.742365492e-01 -1.742365492e-01 5.00 -1.674331521e-01 -1.674331521e-01 5.02 -1.608513411e-01 -1.608513411e-01 5.04 -1.544959669e-01 -1.544959669e-01 5.06 -1.483718546e-01 -1.483718546e-01 5.08 -1.424829860e-01 -1.424829860e-01 5.10 -1.368315830e-01 -1.368315830e-01 5.12 -1.314183868e-01 -1.314183868e-01 5.14 -1.262418628e-01 -1.262418628e-01 5.16 -1.212979652e-01 -1.212979652e-01 5.18 -1.165802238e-01 -1.165802238e-01 5.20 -1.120799944e-01 -1.120799944e-01 5.22 -1.077868202e-01 -1.077868202e-01 5.24 -1.036888535e-01 -1.036888535e-01 5.26 -9.977328754e-02 -9.977328754e-02 5.28 -9.602676136e-02 -9.602676136e-02 5.30 -9.243571284e-02 -9.243571284e-02 5.32 -8.898666633e-02 -8.898666633e-02 5.34 -8.566645309e-02 -8.566645309e-02 5.36 -8.246236932e-02 -8.246236932e-02 5.38 -7.936228171e-02 -7.936228171e-02 5.40 -7.635469249e-02 -7.635469249e-02 5.42 -7.342877680e-02 -7.342877680e-02 5.44 -7.057440438e-02 -7.057440438e-02 5.46 -6.778215630e-02 -6.778215630e-02 5.48 -6.504334575e-02 -6.504334575e-02 5.50 -6.235005006e-02 -6.235005006e-02 5.52 -5.969515908e-02 -5.969515908e-02 5.54 -5.707244290e-02 -5.707244290e-02 5.56 -5.447663966e-02 -5.447663966e-02 5.58 -5.190356144e-02 -5.190356144e-02 5.60 -4.935021359e-02 -4.935021359e-02 5.62 -4.681491943e-02 -4.681491943e-02 5.64 -4.429743941e-02 -4.429743941e-02 5.66 -4.179907026e-02 -4.179907026e-02 5.68 -3.932271047e-02 -3.932271047e-02 5.70 -3.687287120e-02 -3.687287120e-02 5.72 -3.445561902e-02 -3.445561902e-02 5.74 -3.207843824e-02 -3.207843824e-02 5.76 -2.975000603e-02 -2.975000603e-02 5.78 -2.747988304e-02 -2.747988304e-02 5.80 -2.527812603e-02 -2.527812603e-02 5.82 -2.315485313e-02 -2.315485313e-02 5.84 -2.111978575e-02 -2.111978575e-02 5.86 -1.918180057e-02 -1.918180057e-02 5.88 -1.734852782e-02 -1.734852782e-02 5.90 -1.562602696e-02 -1.562602696e-02 5.92 -1.401847021e-02 -1.401847021e-02 5.94 -1.252799885e-02 -1.252799885e-02 5.96 -1.115521842e-02 -1.115521842e-02 5.98 -9.898900348e-03 -9.898900348e-03 6.00 -8.756143602e-03 -8.756143602e-03