# 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 = MgNiTi2 # 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 2.700444934e+02 2.700444934e+02 1.30 2.497759370e+02 2.497759370e+02 1.32 2.310481814e+02 2.310481814e+02 1.34 2.137324419e+02 2.137324419e+02 1.36 1.977127501e+02 1.977127501e+02 1.38 1.828858826e+02 1.828858826e+02 1.40 1.691590984e+02 1.691590984e+02 1.42 1.564476838e+02 1.564476838e+02 1.44 1.446737442e+02 1.446737442e+02 1.46 1.337658558e+02 1.337658558e+02 1.48 1.236585068e+02 1.236585068e+02 1.50 1.142911973e+02 1.142911973e+02 1.52 1.056077465e+02 1.056077465e+02 1.54 9.755606690e+01 9.755606690e+01 1.56 9.008820383e+01 9.008820383e+01 1.58 8.316028324e+01 8.316028324e+01 1.60 7.673222520e+01 7.673222520e+01 1.62 7.076737460e+01 7.076737460e+01 1.64 6.523215085e+01 6.523215085e+01 1.66 6.009560372e+01 6.009560372e+01 1.68 5.532886948e+01 5.532886948e+01 1.70 5.090476628e+01 5.090476628e+01 1.72 4.679777310e+01 4.679777310e+01 1.74 4.298451419e+01 4.298451419e+01 1.76 3.944331485e+01 3.944331485e+01 1.78 3.615427011e+01 3.615427011e+01 1.80 3.309938431e+01 3.309938431e+01 1.82 3.026240884e+01 3.026240884e+01 1.84 2.762853934e+01 2.762853934e+01 1.86 2.518418382e+01 2.518418382e+01 1.88 2.291669645e+01 2.291669645e+01 1.90 2.081413181e+01 2.081413181e+01 1.92 1.886507692e+01 1.886507692e+01 1.94 1.705860634e+01 1.705860634e+01 1.96 1.538435899e+01 1.538435899e+01 1.98 1.383267617e+01 1.383267617e+01 2.00 1.239469432e+01 1.239469432e+01 2.02 1.106232724e+01 1.106232724e+01 2.04 9.828164792e+00 9.828164792e+00 2.06 8.685364157e+00 8.685364157e+00 2.08 7.627587241e+00 7.627587241e+00 2.10 6.648984196e+00 6.648984196e+00 2.12 5.744186032e+00 5.744186032e+00 2.14 4.908273584e+00 4.908273584e+00 2.16 4.136717898e+00 4.136717898e+00 2.18 3.425302784e+00 3.425302784e+00 2.20 2.770047651e+00 2.770047651e+00 2.22 2.167140737e+00 2.167140737e+00 2.24 1.612896168e+00 1.612896168e+00 2.26 1.103741219e+00 1.103741219e+00 2.28 6.362316825e-01 6.362316825e-01 2.30 2.070882627e-01 2.070882627e-01 2.32 -1.867655640e-01 -1.867655640e-01 2.34 -5.481656477e-01 -5.481656477e-01 2.36 -8.796826589e-01 -8.796826589e-01 2.38 -1.183611832e+00 -1.183611832e+00 2.40 -1.461984135e+00 -1.461984135e+00 2.42 -1.716598283e+00 -1.716598283e+00 2.44 -1.949064253e+00 -1.949064253e+00 2.46 -2.160849335e+00 -2.160849335e+00 2.48 -2.353315855e+00 -2.353315855e+00 2.50 -2.527746523e+00 -2.527746523e+00 2.52 -2.685356902e+00 -2.685356902e+00 2.54 -2.827297732e+00 -2.827297732e+00 2.56 -2.954742405e+00 -2.954742405e+00 2.58 -3.068689759e+00 -3.068689759e+00 2.60 -3.169964021e+00 -3.169964021e+00 2.62 -3.259354291e+00 -3.259354291e+00 2.64 -3.337618098e+00 -3.337618098e+00 2.66 -3.405482900e+00 -3.405482900e+00 2.68 -3.463654501e+00 -3.463654501e+00 2.70 -3.512821173e+00 -3.512821173e+00 2.72 -3.553569443e+00 -3.553569443e+00 2.74 -3.586313076e+00 -3.586313076e+00 2.76 -3.611474658e+00 -3.611474658e+00 2.78 -3.629493860e+00 -3.629493860e+00 2.80 -3.640798230e+00 -3.640798230e+00 2.82 -3.645714123e+00 -3.645714123e+00 2.84 -3.644540608e+00 -3.644540608e+00 2.86 -3.637591710e+00 -3.637591710e+00 2.88 -3.625194369e+00 -3.625194369e+00 2.90 -3.607687489e+00 -3.607687489e+00 2.92 -3.585420731e+00 -3.585420731e+00 2.94 -3.558752531e+00 -3.558752531e+00 2.96 -3.528047778e+00 -3.528047778e+00 2.98 -3.493675780e+00 -3.493675780e+00 3.00 -3.456008385e+00 -3.456008385e+00 3.02 -3.415417097e+00 -3.415417097e+00 3.04 -3.372267457e+00 -3.372267457e+00 3.06 -3.326911556e+00 -3.326911556e+00 3.08 -3.279676545e+00 -3.279676545e+00 3.10 -3.230856675e+00 -3.230856675e+00 3.12 -3.180707585e+00 -3.180707585e+00 3.14 -3.129447225e+00 -3.129447225e+00 3.16 -3.077258509e+00 -3.077258509e+00 3.18 -3.024297402e+00 -3.024297402e+00 3.20 -2.970699918e+00 -2.970699918e+00 3.22 -2.916588381e+00 -2.916588381e+00 3.24 -2.862075895e+00 -2.862075895e+00 3.26 -2.807268975e+00 -2.807268975e+00 3.28 -2.752268604e+00 -2.752268604e+00 3.30 -2.697170138e+00 -2.697170138e+00 3.32 -2.642062477e+00 -2.642062477e+00 3.34 -2.587026993e+00 -2.587026993e+00 3.36 -2.532136682e+00 -2.532136682e+00 3.38 -2.477455982e+00 -2.477455982e+00 3.40 -2.423042866e+00 -2.423042866e+00 3.42 -2.368963438e+00 -2.368963438e+00 3.44 -2.315256923e+00 -2.315256923e+00 3.46 -2.261958049e+00 -2.261958049e+00 3.48 -2.209107812e+00 -2.209107812e+00 3.50 -2.156755792e+00 -2.156755792e+00 3.52 -2.104961150e+00 -2.104961150e+00 3.54 -2.053791703e+00 -2.053791703e+00 3.56 -2.003320833e+00 -2.003320833e+00 3.58 -1.953622280e+00 -1.953622280e+00 3.60 -1.904753743e+00 -1.904753743e+00 3.62 -1.856747120e+00 -1.856747120e+00 3.64 -1.809622658e+00 -1.809622658e+00 3.66 -1.763387935e+00 -1.763387935e+00 3.68 -1.718037833e+00 -1.718037833e+00 3.70 -1.673556556e+00 -1.673556556e+00 3.72 -1.629920913e+00 -1.629920913e+00 3.74 -1.587104082e+00 -1.587104082e+00 3.76 -1.545079193e+00 -1.545079193e+00 3.78 -1.503822333e+00 -1.503822333e+00 3.80 -1.463314782e+00 -1.463314782e+00 3.82 -1.423544399e+00 -1.423544399e+00 3.84 -1.384506163e+00 -1.384506163e+00 3.86 -1.346201907e+00 -1.346201907e+00 3.88 -1.308639309e+00 -1.308639309e+00 3.90 -1.271830280e+00 -1.271830280e+00 3.92 -1.235788801e+00 -1.235788801e+00 3.94 -1.200529333e+00 -1.200529333e+00 3.96 -1.166063852e+00 -1.166063852e+00 3.98 -1.132400826e+00 -1.132400826e+00 4.00 -1.099543901e+00 -1.099543901e+00 4.02 -1.067491355e+00 -1.067491355e+00 4.04 -1.036236085e+00 -1.036236085e+00 4.06 -1.005766026e+00 -1.005766026e+00 4.08 -9.760648380e-01 -9.760648380e-01 4.10 -9.471122954e-01 -9.471122954e-01 4.12 -9.188869152e-01 -9.188869152e-01 4.14 -8.913639010e-01 -8.913639010e-01 4.16 -8.645178359e-01 -8.645178359e-01 4.18 -8.383227511e-01 -8.383227511e-01 4.20 -8.127526595e-01 -8.127526595e-01 4.22 -7.877820483e-01 -7.877820483e-01 4.24 -7.633863635e-01 -7.633863635e-01 4.26 -7.395425120e-01 -7.395425120e-01 4.28 -7.162293975e-01 -7.162293975e-01 4.30 -6.934284908e-01 -6.934284908e-01 4.32 -6.711244185e-01 -6.711244185e-01 4.34 -6.493055318e-01 -6.493055318e-01 4.36 -6.279643998e-01 -6.279643998e-01 4.38 -6.070981540e-01 -6.070981540e-01 4.40 -5.867086047e-01 -5.867086047e-01 4.42 -5.668020532e-01 -5.668020532e-01 4.44 -5.473887486e-01 -5.473887486e-01 4.46 -5.284819734e-01 -5.284819734e-01 4.48 -5.100967946e-01 -5.100967946e-01 4.50 -4.922485742e-01 -4.922485742e-01 4.52 -4.749513763e-01 -4.749513763e-01 4.54 -4.582164400e-01 -4.582164400e-01 4.56 -4.420508809e-01 -4.420508809e-01 4.58 -4.264567538e-01 -4.264567538e-01 4.60 -4.114305565e-01 -4.114305565e-01 4.62 -3.969631876e-01 -3.969631876e-01 4.64 -3.830403143e-01 -3.830403143e-01 4.66 -3.696430597e-01 -3.696430597e-01 4.68 -3.567489022e-01 -3.567489022e-01 4.70 -3.443326742e-01 -3.443326742e-01 4.72 -3.323675686e-01 -3.323675686e-01 4.74 -3.208260833e-01 -3.208260833e-01 4.76 -3.096808622e-01 -3.096808622e-01 4.78 -2.989054179e-01 -2.989054179e-01 4.80 -2.884744741e-01 -2.884744741e-01 4.82 -2.783655454e-01 -2.783655454e-01 4.84 -2.685576383e-01 -2.685576383e-01 4.86 -2.590327631e-01 -2.590327631e-01 4.88 -2.497758654e-01 -2.497758654e-01 4.90 -2.407749913e-01 -2.407749913e-01 4.92 -2.320213596e-01 -2.320213596e-01 4.94 -2.235093214e-01 -2.235093214e-01 4.96 -2.152361838e-01 -2.152361838e-01 4.98 -2.072018826e-01 -2.072018826e-01 5.00 -1.994084971e-01 -1.994084971e-01 5.02 -1.918596224e-01 -1.918596224e-01 5.04 -1.845596331e-01 -1.845596331e-01 5.06 -1.775128962e-01 -1.775128962e-01 5.08 -1.707230005e-01 -1.707230005e-01 5.10 -1.641920768e-01 -1.641920768e-01 5.12 -1.579202714e-01 -1.579202714e-01 5.14 -1.519054131e-01 -1.519054131e-01 5.16 -1.461428916e-01 -1.461428916e-01 5.18 -1.406257325e-01 -1.406257325e-01 5.20 -1.353448346e-01 -1.353448346e-01 5.22 -1.302893239e-01 -1.302893239e-01 5.24 -1.254469691e-01 -1.254469691e-01 5.26 -1.208046124e-01 -1.208046124e-01 5.28 -1.163485768e-01 -1.163485768e-01 5.30 -1.120650241e-01 -1.120650241e-01 5.32 -1.079402499e-01 -1.079402499e-01 5.34 -1.039609101e-01 -1.039609101e-01 5.36 -1.001141844e-01 -1.001141844e-01 5.38 -9.638788371e-02 -9.638788371e-02 5.40 -9.277050873e-02 -9.277050873e-02 5.42 -8.925122196e-02 -8.925122196e-02 5.44 -8.581998032e-02 -8.581998032e-02 5.46 -8.246749399e-02 -8.246749399e-02 5.48 -7.918519335e-02 -7.918519335e-02 5.50 -7.596523792e-02 -7.596523792e-02 5.52 -7.280054145e-02 -7.280054145e-02 5.54 -6.968481890e-02 -6.968481890e-02 5.56 -6.661265841e-02 -6.661265841e-02 5.58 -6.357961824e-02 -6.357961824e-02 5.60 -6.058234478e-02 -6.058234478e-02 5.62 -5.761870396e-02 -5.761870396e-02 5.64 -5.468791402e-02 -5.468791402e-02 5.66 -5.179066432e-02 -5.179066432e-02 5.68 -4.892920183e-02 -4.892920183e-02 5.70 -4.610736637e-02 -4.610736637e-02 5.72 -4.333055650e-02 -4.333055650e-02 5.74 -4.060561162e-02 -4.060561162e-02 5.76 -3.794060271e-02 -3.794060271e-02 5.78 -3.534453548e-02 -3.534453548e-02 5.80 -3.282696372e-02 -3.282696372e-02 5.82 -3.039755293e-02 -3.039755293e-02 5.84 -2.806561804e-02 -2.806561804e-02 5.86 -2.583966583e-02 -2.583966583e-02 5.88 -2.372698162e-02 -2.372698162e-02 5.90 -2.173329290e-02 -2.173329290e-02 5.92 -1.986229026e-02 -1.986229026e-02 5.94 -1.811538802e-02 -1.811538802e-02 5.96 -1.649311410e-02 -1.649311410e-02 5.98 -1.499411076e-02 -1.499411076e-02 6.00 -1.361525238e-02 -1.361525238e-02