# 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 = MgMo2Ni # 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 2.977802344e+02 2.977802344e+02 1.30 2.752940624e+02 2.752940624e+02 1.32 2.545356210e+02 2.545356210e+02 1.34 2.353565591e+02 2.353565591e+02 1.36 2.176195431e+02 2.176195431e+02 1.38 2.011992444e+02 2.011992444e+02 1.40 1.859831247e+02 1.859831247e+02 1.42 1.718715880e+02 1.718715880e+02 1.44 1.587771711e+02 1.587771711e+02 1.46 1.466228441e+02 1.466228441e+02 1.48 1.353399863e+02 1.353399863e+02 1.50 1.248666638e+02 1.248666638e+02 1.52 1.151464935e+02 1.151464935e+02 1.54 1.061279336e+02 1.061279336e+02 1.56 9.776364945e+01 9.776364945e+01 1.58 9.000979150e+01 9.000979150e+01 1.60 8.282532083e+01 8.282532083e+01 1.62 7.617155142e+01 7.617155142e+01 1.64 7.001189241e+01 7.001189241e+01 1.66 6.431164824e+01 6.431164824e+01 1.68 5.903780804e+01 5.903780804e+01 1.70 5.415893113e+01 5.415893113e+01 1.72 4.964883427e+01 4.964883427e+01 1.74 4.548056707e+01 4.548056707e+01 1.76 4.162620364e+01 4.162620364e+01 1.78 3.805927547e+01 3.805927547e+01 1.80 3.475548315e+01 3.475548315e+01 1.82 3.169286312e+01 3.169286312e+01 1.84 2.885192448e+01 2.885192448e+01 1.86 2.621567386e+01 2.621567386e+01 1.88 2.376942892e+01 2.376942892e+01 1.90 2.150045468e+01 2.150045468e+01 1.92 1.939750613e+01 1.939750613e+01 1.94 1.745038274e+01 1.745038274e+01 1.96 1.564957191e+01 1.564957191e+01 1.98 1.398601171e+01 1.398601171e+01 2.00 1.245095236e+01 1.245095236e+01 2.02 1.103587733e+01 1.103587733e+01 2.04 9.732457790e+00 9.732457790e+00 2.06 8.532534214e+00 8.532534214e+00 2.08 7.428132588e+00 7.428132588e+00 2.10 6.411524541e+00 6.411524541e+00 2.12 5.475328497e+00 5.475328497e+00 2.14 4.612632596e+00 4.612632596e+00 2.16 3.817108754e+00 3.817108754e+00 2.18 3.083084324e+00 3.083084324e+00 2.20 2.405554592e+00 2.405554592e+00 2.22 1.780136141e+00 1.780136141e+00 2.24 1.202981898e+00 1.202981898e+00 2.26 6.706809785e-01 6.706809785e-01 2.28 1.801609708e-01 1.801609708e-01 2.30 -2.713948068e-01 -2.713948068e-01 2.32 -6.866139784e-01 -6.866139784e-01 2.34 -1.067974285e+00 -1.067974285e+00 2.36 -1.417818627e+00 -1.417818627e+00 2.38 -1.738346067e+00 -1.738346067e+00 2.40 -2.031593372e+00 -2.031593372e+00 2.42 -2.299301614e+00 -2.299301614e+00 2.44 -2.542998247e+00 -2.542998247e+00 2.46 -2.764497351e+00 -2.764497351e+00 2.48 -2.965426172e+00 -2.965426172e+00 2.50 -3.147232262e+00 -3.147232262e+00 2.52 -3.311209043e+00 -3.311209043e+00 2.54 -3.458514456e+00 -3.458514456e+00 2.56 -3.590185641e+00 -3.590185641e+00 2.58 -3.707072488e+00 -3.707072488e+00 2.60 -3.809574766e+00 -3.809574766e+00 2.62 -3.897994658e+00 -3.897994658e+00 2.64 -3.972667638e+00 -3.972667638e+00 2.66 -4.033960900e+00 -4.033960900e+00 2.68 -4.082279844e+00 -4.082279844e+00 2.70 -4.118070526e+00 -4.118070526e+00 2.72 -4.141818829e+00 -4.141818829e+00 2.74 -4.154045804e+00 -4.154045804e+00 2.76 -4.155299653e+00 -4.155299653e+00 2.78 -4.146146378e+00 -4.146146378e+00 2.80 -4.127144413e+00 -4.127144413e+00 2.82 -4.098767849e+00 -4.098767849e+00 2.84 -4.061497548e+00 -4.061497548e+00 2.86 -4.015864911e+00 -4.015864911e+00 2.88 -3.962460549e+00 -3.962460549e+00 2.90 -3.901942882e+00 -3.901942882e+00 2.92 -3.835042962e+00 -3.835042962e+00 2.94 -3.762562134e+00 -3.762562134e+00 2.96 -3.685360260e+00 -3.685360260e+00 2.98 -3.604333871e+00 -3.604333871e+00 3.00 -3.520385648e+00 -3.520385648e+00 3.02 -3.434388454e+00 -3.434388454e+00 3.04 -3.347148383e+00 -3.347148383e+00 3.06 -3.259372567e+00 -3.259372567e+00 3.08 -3.171643821e+00 -3.171643821e+00 3.10 -3.084407811e+00 -3.084407811e+00 3.12 -2.997970791e+00 -2.997970791e+00 3.14 -2.912509563e+00 -2.912509563e+00 3.16 -2.828086546e+00 -2.828086546e+00 3.18 -2.744673419e+00 -2.744673419e+00 3.20 -2.662175520e+00 -2.662175520e+00 3.22 -2.580456846e+00 -2.580456846e+00 3.24 -2.499363644e+00 -2.499363644e+00 3.26 -2.418745569e+00 -2.418745569e+00 3.28 -2.338473816e+00 -2.338473816e+00 3.30 -2.258459645e+00 -2.258459645e+00 3.32 -2.178695097e+00 -2.178695097e+00 3.34 -2.099131005e+00 -2.099131005e+00 3.36 -2.019759218e+00 -2.019759218e+00 3.38 -1.940646530e+00 -1.940646530e+00 3.40 -1.861898606e+00 -1.861898606e+00 3.42 -1.783484179e+00 -1.783484179e+00 3.44 -1.705406409e+00 -1.705406409e+00 3.46 -1.627792068e+00 -1.627792068e+00 3.48 -1.550876985e+00 -1.550876985e+00 3.50 -1.474982958e+00 -1.474982958e+00 3.52 -1.400488239e+00 -1.400488239e+00 3.54 -1.327794789e+00 -1.327794789e+00 3.56 -1.257295957e+00 -1.257295957e+00 3.58 -1.189348024e+00 -1.189348024e+00 3.60 -1.124248194e+00 -1.124248194e+00 3.62 -1.062220435e+00 -1.062220435e+00 3.64 -1.003409340e+00 -1.003409340e+00 3.66 -9.478811836e-01 -9.478811836e-01 3.68 -8.956306856e-01 -8.956306856e-01 3.70 -8.465916932e-01 -8.465916932e-01 3.72 -8.006500449e-01 -8.006500449e-01 3.74 -7.576570875e-01 -7.576570875e-01 3.76 -7.174426566e-01 -7.174426566e-01 3.78 -6.798266581e-01 -6.798266581e-01 3.80 -6.446286841e-01 -6.446286841e-01 3.82 -6.116753321e-01 -6.116753321e-01 3.84 -5.808050981e-01 -5.808050981e-01 3.86 -5.518708918e-01 -5.518708918e-01 3.88 -5.247404150e-01 -5.247404150e-01 3.90 -4.992948184e-01 -4.992948184e-01 3.92 -4.754261061e-01 -4.754261061e-01 3.94 -4.530345895e-01 -4.530345895e-01 3.96 -4.320253041e-01 -4.320253041e-01 3.98 -4.123062268e-01 -4.123062268e-01 4.00 -3.937867117e-01 -3.937867117e-01 4.02 -3.763769510e-01 -3.763769510e-01 4.04 -3.599881823e-01 -3.599881823e-01 4.06 -3.445333918e-01 -3.445333918e-01 4.08 -3.299282535e-01 -3.299282535e-01 4.10 -3.160916602e-01 -3.160916602e-01 4.12 -3.029481099e-01 -3.029481099e-01 4.14 -2.904257497e-01 -2.904257497e-01 4.16 -2.784574138e-01 -2.784574138e-01 4.18 -2.669831915e-01 -2.669831915e-01 4.20 -2.559488584e-01 -2.559488584e-01 4.22 -2.453051658e-01 -2.453051658e-01 4.24 -2.350080768e-01 -2.350080768e-01 4.26 -2.250189274e-01 -2.250189274e-01 4.28 -2.153045897e-01 -2.153045897e-01 4.30 -2.058376770e-01 -2.058376770e-01 4.32 -1.965967918e-01 -1.965967918e-01 4.34 -1.875667855e-01 -1.875667855e-01 4.36 -1.787389706e-01 -1.787389706e-01 4.38 -1.701112061e-01 -1.701112061e-01 4.40 -1.616877660e-01 -1.616877660e-01 4.42 -1.534789071e-01 -1.534789071e-01 4.44 -1.455000734e-01 -1.455000734e-01 4.46 -1.377707226e-01 -1.377707226e-01 4.48 -1.303128107e-01 -1.303128107e-01 4.50 -1.231490388e-01 -1.231490388e-01 4.52 -1.163010149e-01 -1.163010149e-01 4.54 -1.097875125e-01 -1.097875125e-01 4.56 -1.036230069e-01 -1.036230069e-01 4.58 -9.781663021e-02 -9.781663021e-02 4.60 -9.237162690e-02 -9.237162690e-02 4.62 -8.728531678e-02 -8.728531678e-02 4.64 -8.254950822e-02 -8.254950822e-02 4.66 -7.815125470e-02 -7.815125470e-02 4.68 -7.407382564e-02 -7.407382564e-02 4.70 -7.029776335e-02 -7.029776335e-02 4.72 -6.680191713e-02 -6.680191713e-02 4.74 -6.356437516e-02 -6.356437516e-02 4.76 -6.056324585e-02 -6.056324585e-02 4.78 -5.777726865e-02 -5.777726865e-02 4.80 -5.518605167e-02 -5.518605167e-02 4.82 -5.277122345e-02 -5.277122345e-02 4.84 -5.051523839e-02 -5.051523839e-02 4.86 -4.840237521e-02 -4.840237521e-02 4.88 -4.641851418e-02 -4.641851418e-02 4.90 -4.455104822e-02 -4.455104822e-02 4.92 -4.278877974e-02 -4.278877974e-02 4.94 -4.112180185e-02 -4.112180185e-02 4.96 -3.954137157e-02 -3.954137157e-02 4.98 -3.803978314e-02 -3.803978314e-02 5.00 -3.661024465e-02 -3.661024465e-02 5.02 -3.524676533e-02 -3.524676533e-02 5.04 -3.394405243e-02 -3.394405243e-02 5.06 -3.269741867e-02 -3.269741867e-02 5.08 -3.150270084e-02 -3.150270084e-02 5.10 -3.035618898e-02 -3.035618898e-02 5.12 -2.925456566e-02 -2.925456566e-02 5.14 -2.819485455e-02 -2.819485455e-02 5.16 -2.717437746e-02 -2.717437746e-02 5.18 -2.619071916e-02 -2.619071916e-02 5.20 -2.524169901e-02 -2.524169901e-02 5.22 -2.432534884e-02 -2.432534884e-02 5.24 -2.343989607e-02 -2.343989607e-02 5.26 -2.258375144e-02 -2.258375144e-02 5.28 -2.175550029e-02 -2.175550029e-02 5.30 -2.095389639e-02 -2.095389639e-02 5.32 -2.017785722e-02 -2.017785722e-02 5.34 -1.942645922e-02 -1.942645922e-02 5.36 -1.869890162e-02 -1.869890162e-02 5.38 -1.799454215e-02 -1.799454215e-02 5.40 -1.731289779e-02 -1.731289779e-02 5.42 -1.665359991e-02 -1.665359991e-02 5.44 -1.601637283e-02 -1.601637283e-02 5.46 -1.540100794e-02 -1.540100794e-02 5.48 -1.480733440e-02 -1.480733440e-02 5.50 -1.423518822e-02 -1.423518822e-02 5.52 -1.368438191e-02 -1.368438191e-02 5.54 -1.315467712e-02 -1.315467712e-02 5.56 -1.264576232e-02 -1.264576232e-02 5.58 -1.215723733e-02 -1.215723733e-02 5.60 -1.168860533e-02 -1.168860533e-02 5.62 -1.123927251e-02 -1.123927251e-02 5.64 -1.080855440e-02 -1.080855440e-02 5.66 -1.039568755e-02 -1.039568755e-02 5.68 -9.999844794e-03 -9.999844794e-03 5.70 -9.620152289e-03 -9.620152289e-03 5.72 -9.255706793e-03 -9.255706793e-03 5.74 -8.905591836e-03 -8.905591836e-03 5.76 -8.568891961e-03 -8.568891961e-03 5.78 -8.244704550e-03 -8.244704550e-03 5.80 -7.932149105e-03 -7.932149105e-03 5.82 -7.630374119e-03 -7.630374119e-03 5.84 -7.338561854e-03 -7.338561854e-03 5.86 -7.055931443e-03 -7.055931443e-03 5.88 -6.781740778e-03 -6.781740778e-03 5.90 -6.515287631e-03 -6.515287631e-03 5.92 -6.255910441e-03 -6.255910441e-03 5.94 -6.002989130e-03 -6.002989130e-03 5.96 -5.755946260e-03 -5.755946260e-03 5.98 -5.514248776e-03 -5.514248776e-03 6.00 -5.277410508e-03 -5.277410508e-03