# 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 = Mg2NiTa # 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 3.548547665e+02 3.548547665e+02 1.30 3.286290983e+02 3.286290983e+02 1.32 3.043763861e+02 3.043763861e+02 1.34 2.819345444e+02 2.819345444e+02 1.36 2.611591605e+02 2.611591605e+02 1.38 2.419217556e+02 2.419217556e+02 1.40 2.241067199e+02 2.241067199e+02 1.42 2.076081570e+02 2.076081570e+02 1.44 1.923274112e+02 1.923274112e+02 1.46 1.781714010e+02 1.781714010e+02 1.48 1.650517624e+02 1.650517624e+02 1.50 1.528848561e+02 1.528848561e+02 1.52 1.415925655e+02 1.415925655e+02 1.54 1.311034061e+02 1.311034061e+02 1.56 1.213532480e+02 1.213532480e+02 1.58 1.122852166e+02 1.122852166e+02 1.60 1.038489067e+02 1.038489067e+02 1.62 9.599932723e+01 9.599932723e+01 1.64 8.869589549e+01 8.869589549e+01 1.66 8.190225840e+01 8.190225840e+01 1.68 7.558894719e+01 7.558894719e+01 1.70 6.972463829e+01 6.972463829e+01 1.72 6.427909244e+01 6.427909244e+01 1.74 5.922392507e+01 5.922392507e+01 1.76 5.453224799e+01 5.453224799e+01 1.78 5.017873687e+01 5.017873687e+01 1.80 4.613990277e+01 4.613990277e+01 1.82 4.239382082e+01 4.239382082e+01 1.84 3.892009706e+01 3.892009706e+01 1.86 3.569977533e+01 3.569977533e+01 1.88 3.271517402e+01 3.271517402e+01 1.90 2.994970132e+01 2.994970132e+01 1.92 2.738769312e+01 2.738769312e+01 1.94 2.501430435e+01 2.501430435e+01 1.96 2.281546458e+01 2.281546458e+01 1.98 2.077789536e+01 2.077789536e+01 2.00 1.888916961e+01 1.888916961e+01 2.02 1.713778758e+01 1.713778758e+01 2.04 1.551324493e+01 1.551324493e+01 2.06 1.400606624e+01 1.400606624e+01 2.08 1.260778285e+01 1.260778285e+01 2.10 1.131085426e+01 1.131085426e+01 2.12 1.010854735e+01 1.010854735e+01 2.14 8.994799531e+00 8.994799531e+00 2.16 7.964087633e+00 7.964087633e+00 2.18 7.011310303e+00 7.011310303e+00 2.20 6.131689890e+00 6.131689890e+00 2.22 5.320689701e+00 5.320689701e+00 2.24 4.573951116e+00 4.573951116e+00 2.26 3.887248644e+00 3.887248644e+00 2.28 3.256458299e+00 3.256458299e+00 2.30 2.677633691e+00 2.677633691e+00 2.32 2.146846162e+00 2.146846162e+00 2.34 1.659988221e+00 1.659988221e+00 2.36 1.213136335e+00 1.213136335e+00 2.38 8.026290113e-01 8.026290113e-01 2.40 4.251362993e-01 4.251362993e-01 2.42 7.790824408e-02 7.790824408e-02 2.44 -2.410862097e-01 -2.410862097e-01 2.46 -5.337095152e-01 -5.337095152e-01 2.48 -8.017126975e-01 -8.017126975e-01 2.50 -1.046726959e+00 -1.046726959e+00 2.52 -1.270265174e+00 -1.270265174e+00 2.54 -1.473729328e+00 -1.473729328e+00 2.56 -1.658421329e+00 -1.658421329e+00 2.58 -1.825553032e+00 -1.825553032e+00 2.60 -1.976258726e+00 -1.976258726e+00 2.62 -2.111608128e+00 -2.111608128e+00 2.64 -2.232618098e+00 -2.232618098e+00 2.66 -2.340259140e+00 -2.340259140e+00 2.68 -2.435464037e+00 -2.435464037e+00 2.70 -2.519131688e+00 -2.519131688e+00 2.72 -2.592100220e+00 -2.592100220e+00 2.74 -2.655059945e+00 -2.655059945e+00 2.76 -2.708659782e+00 -2.708659782e+00 2.78 -2.753534357e+00 -2.753534357e+00 2.80 -2.790294070e+00 -2.790294070e+00 2.82 -2.819514597e+00 -2.819514597e+00 2.84 -2.841732568e+00 -2.841732568e+00 2.86 -2.857443597e+00 -2.857443597e+00 2.88 -2.867103681e+00 -2.867103681e+00 2.90 -2.871132304e+00 -2.871132304e+00 2.92 -2.869915950e+00 -2.869915950e+00 2.94 -2.863811173e+00 -2.863811173e+00 2.96 -2.853146884e+00 -2.853146884e+00 2.98 -2.838226011e+00 -2.838226011e+00 3.00 -2.819326851e+00 -2.819326851e+00 3.02 -2.796704595e+00 -2.796704595e+00 3.04 -2.770593128e+00 -2.770593128e+00 3.06 -2.741208926e+00 -2.741208926e+00 3.08 -2.708753031e+00 -2.708753031e+00 3.10 -2.673416734e+00 -2.673416734e+00 3.12 -2.635385801e+00 -2.635385801e+00 3.14 -2.594847732e+00 -2.594847732e+00 3.16 -2.551994010e+00 -2.551994010e+00 3.18 -2.507027474e+00 -2.507027474e+00 3.20 -2.460166340e+00 -2.460166340e+00 3.22 -2.411647928e+00 -2.411647928e+00 3.24 -2.361730932e+00 -2.361730932e+00 3.26 -2.310695527e+00 -2.310695527e+00 3.28 -2.258840612e+00 -2.258840612e+00 3.30 -2.206477731e+00 -2.206477731e+00 3.32 -2.153921795e+00 -2.153921795e+00 3.34 -2.101479389e+00 -2.101479389e+00 3.36 -2.049436125e+00 -2.049436125e+00 3.38 -1.998056016e+00 -1.998056016e+00 3.40 -1.947576738e+00 -1.947576738e+00 3.42 -1.898128181e+00 -1.898128181e+00 3.44 -1.849789909e+00 -1.849789909e+00 3.46 -1.802597488e+00 -1.802597488e+00 3.48 -1.756545879e+00 -1.756545879e+00 3.50 -1.711595086e+00 -1.711595086e+00 3.52 -1.667677118e+00 -1.667677118e+00 3.54 -1.624696428e+00 -1.624696428e+00 3.56 -1.582479265e+00 -1.582479265e+00 3.58 -1.540814241e+00 -1.540814241e+00 3.60 -1.499498074e+00 -1.499498074e+00 3.62 -1.458340382e+00 -1.458340382e+00 3.64 -1.417168134e+00 -1.417168134e+00 3.66 -1.375830137e+00 -1.375830137e+00 3.68 -1.334201651e+00 -1.334201651e+00 3.70 -1.292189108e+00 -1.292189108e+00 3.72 -1.249734780e+00 -1.249734780e+00 3.74 -1.206821086e+00 -1.206821086e+00 3.76 -1.163474036e+00 -1.163474036e+00 3.78 -1.119765237e+00 -1.119765237e+00 3.80 -1.075811784e+00 -1.075811784e+00 3.82 -1.031773516e+00 -1.031773516e+00 3.84 -9.878472677e-01 -9.878472677e-01 3.86 -9.442581473e-01 -9.442581473e-01 3.88 -9.012482861e-01 -9.012482861e-01 3.90 -8.590639533e-01 -8.590639533e-01 3.92 -8.179420720e-01 -8.179420720e-01 3.94 -7.780986299e-01 -7.780986299e-01 3.96 -7.397172814e-01 -7.397172814e-01 3.98 -7.029430789e-01 -7.029430789e-01 4.00 -6.678785843e-01 -6.678785843e-01 4.02 -6.345835589e-01 -6.345835589e-01 4.04 -6.030774921e-01 -6.030774921e-01 4.06 -5.733442073e-01 -5.733442073e-01 4.08 -5.453377190e-01 -5.453377190e-01 4.10 -5.189879084e-01 -5.189879084e-01 4.12 -4.942095848e-01 -4.942095848e-01 4.14 -4.709037326e-01 -4.709037326e-01 4.16 -4.489656258e-01 -4.489656258e-01 4.18 -4.282880955e-01 -4.282880955e-01 4.20 -4.087648126e-01 -4.087648126e-01 4.22 -3.902928288e-01 -3.902928288e-01 4.24 -3.727744960e-01 -3.727744960e-01 4.26 -3.561188926e-01 -3.561188926e-01 4.28 -3.402428761e-01 -3.402428761e-01 4.30 -3.250718614e-01 -3.250718614e-01 4.32 -3.105403902e-01 -3.105403902e-01 4.34 -2.965925282e-01 -2.965925282e-01 4.36 -2.831820868e-01 -2.831820868e-01 4.38 -2.702726399e-01 -2.702726399e-01 4.40 -2.578372832e-01 -2.578372832e-01 4.42 -2.458580764e-01 -2.458580764e-01 4.44 -2.343251247e-01 -2.343251247e-01 4.46 -2.232352831e-01 -2.232352831e-01 4.48 -2.125905218e-01 -2.125905218e-01 4.50 -2.023960450e-01 -2.023960450e-01 4.52 -1.926583057e-01 -1.926583057e-01 4.54 -1.833830935e-01 -1.833830935e-01 4.56 -1.745738715e-01 -1.745738715e-01 4.58 -1.662305079e-01 -1.662305079e-01 4.60 -1.583484933e-01 -1.583484933e-01 4.62 -1.509186617e-01 -1.509186617e-01 4.64 -1.439273711e-01 -1.439273711e-01 4.66 -1.373570473e-01 -1.373570473e-01 4.68 -1.311869684e-01 -1.311869684e-01 4.70 -1.253941690e-01 -1.253941690e-01 4.72 -1.199543530e-01 -1.199543530e-01 4.74 -1.148427158e-01 -1.148427158e-01 4.76 -1.100346667e-01 -1.100346667e-01 4.78 -1.055063916e-01 -1.055063916e-01 4.80 -1.012348537e-01 -1.012348537e-01 4.82 -9.719976450e-02 -9.719976450e-02 4.84 -9.338105787e-02 -9.338105787e-02 4.86 -8.976081874e-02 -8.976081874e-02 4.88 -8.632276939e-02 -8.632276939e-02 4.90 -8.305219583e-02 -8.305219583e-02 4.92 -7.993553922e-02 -7.993553922e-02 4.94 -7.696085449e-02 -7.696085449e-02 4.96 -7.411761426e-02 -7.411761426e-02 4.98 -7.139633856e-02 -7.139633856e-02 5.00 -6.878848517e-02 -6.878848517e-02 5.02 -6.628634439e-02 -6.628634439e-02 5.04 -6.388294116e-02 -6.388294116e-02 5.06 -6.157194653e-02 -6.157194653e-02 5.08 -5.934759916e-02 -5.934759916e-02 5.10 -5.720463722e-02 -5.720463722e-02 5.12 -5.513824074e-02 -5.513824074e-02 5.14 -5.314398344e-02 -5.314398344e-02 5.16 -5.121779426e-02 -5.121779426e-02 5.18 -4.935592833e-02 -4.935592833e-02 5.20 -4.755494602e-02 -4.755494602e-02 5.22 -4.581169977e-02 -4.581169977e-02 5.24 -4.412332783e-02 -4.412332783e-02 5.26 -4.248725365e-02 -4.248725365e-02 5.28 -4.090118964e-02 -4.090118964e-02 5.30 -3.936314325e-02 -3.936314325e-02 5.32 -3.787142333e-02 -3.787142333e-02 5.34 -3.642464378e-02 -3.642464378e-02 5.36 -3.502172172e-02 -3.502172172e-02 5.38 -3.366186748e-02 -3.366186748e-02 5.40 -3.234456325e-02 -3.234456325e-02 5.42 -3.106952882e-02 -3.106952882e-02 5.44 -2.983667422e-02 -2.983667422e-02 5.46 -2.864604018e-02 -2.864604018e-02 5.48 -2.749772931e-02 -2.749772931e-02 5.50 -2.639183262e-02 -2.639183262e-02 5.52 -2.532835709e-02 -2.532835709e-02 5.54 -2.430716009e-02 -2.430716009e-02 5.56 -2.332789644e-02 -2.332789644e-02 5.58 -2.238998193e-02 -2.238998193e-02 5.60 -2.149257563e-02 -2.149257563e-02 5.62 -2.063458088e-02 -2.063458088e-02 5.64 -1.981466284e-02 -1.981466284e-02 5.66 -1.903127923e-02 -1.903127923e-02 5.68 -1.828271982e-02 -1.828271982e-02 5.70 -1.756715021e-02 -1.756715021e-02 5.72 -1.688265600e-02 -1.688265600e-02 5.74 -1.622728365e-02 -1.622728365e-02 5.76 -1.559904580e-02 -1.559904580e-02 5.78 -1.499600187e-02 -1.499600187e-02 5.80 -1.441628374e-02 -1.441628374e-02 5.82 -1.385809064e-02 -1.385809064e-02 5.84 -1.331970112e-02 -1.331970112e-02 5.86 -1.279948061e-02 -1.279948061e-02 5.88 -1.229588560e-02 -1.229588560e-02 5.90 -1.180746561e-02 -1.180746561e-02 5.92 -1.133286382e-02 -1.133286382e-02 5.94 -1.087081738e-02 -1.087081738e-02 5.96 -1.042015809e-02 -1.042015809e-02 5.98 -9.979813977e-03 -9.979813977e-03 6.00 -9.548812160e-03 -9.548812160e-03