# 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 = Mg2MoTi # 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 3.806764088e+02 3.806764088e+02 1.30 3.528439497e+02 3.528439497e+02 1.32 3.271049044e+02 3.271049044e+02 1.34 3.032885057e+02 3.032885057e+02 1.36 2.812372244e+02 2.812372244e+02 1.38 2.608066052e+02 2.608066052e+02 1.40 2.418649343e+02 2.418649343e+02 1.42 2.242927240e+02 2.242927240e+02 1.44 2.079821975e+02 2.079821975e+02 1.46 1.928365629e+02 1.928365629e+02 1.48 1.787687668e+02 1.787687668e+02 1.50 1.656999248e+02 1.656999248e+02 1.52 1.535579260e+02 1.535579260e+02 1.54 1.422764602e+02 1.422764602e+02 1.56 1.317944490e+02 1.317944490e+02 1.58 1.220556410e+02 1.220556410e+02 1.60 1.130081321e+02 1.130081321e+02 1.62 1.046037927e+02 1.046037927e+02 1.64 9.679773694e+01 9.679773694e+01 1.66 8.954788223e+01 8.954788223e+01 1.68 8.281461541e+01 8.281461541e+01 1.70 7.656096046e+01 7.656096046e+01 1.72 7.075421572e+01 7.075421572e+01 1.74 6.536192898e+01 6.536192898e+01 1.76 6.035340010e+01 6.035340010e+01 1.78 5.569989277e+01 5.569989277e+01 1.80 5.137512330e+01 5.137512330e+01 1.82 4.735483635e+01 4.735483635e+01 1.84 4.361675559e+01 4.361675559e+01 1.86 4.014058783e+01 4.014058783e+01 1.88 3.690794075e+01 3.690794075e+01 1.90 3.390212906e+01 3.390212906e+01 1.92 3.110790214e+01 3.110790214e+01 1.94 2.851117550e+01 2.851117550e+01 1.96 2.609883299e+01 2.609883299e+01 1.98 2.385861352e+01 2.385861352e+01 2.00 2.177903245e+01 2.177903245e+01 2.02 1.984929014e+01 1.984929014e+01 2.04 1.805916902e+01 1.805916902e+01 2.06 1.639895085e+01 1.639895085e+01 2.08 1.485938066e+01 1.485938066e+01 2.10 1.343168102e+01 1.343168102e+01 2.12 1.210759516e+01 1.210759516e+01 2.14 1.087943381e+01 1.087943381e+01 2.16 9.740107064e+00 9.740107064e+00 2.18 8.683126062e+00 8.683126062e+00 2.20 7.702574102e+00 7.702574102e+00 2.22 6.793048525e+00 6.793048525e+00 2.24 5.949592810e+00 5.949592810e+00 2.26 5.167634920e+00 5.167634920e+00 2.28 4.442940812e+00 4.442940812e+00 2.30 3.771590400e+00 3.771590400e+00 2.32 3.149957021e+00 3.149957021e+00 2.34 2.574696896e+00 2.574696896e+00 2.36 2.042729131e+00 2.042729131e+00 2.38 1.551212210e+00 1.551212210e+00 2.40 1.097514365e+00 1.097514365e+00 2.42 6.792899096e-01 6.792899096e-01 2.44 2.942281232e-01 2.942281232e-01 2.46 -5.997763763e-02 -5.997763763e-02 2.48 -3.854798295e-01 -3.854798295e-01 2.50 -6.842855039e-01 -6.842855039e-01 2.52 -9.582597210e-01 -9.582597210e-01 2.54 -1.209134527e+00 -1.209134527e+00 2.56 -1.438550344e+00 -1.438550344e+00 2.58 -1.647863831e+00 -1.647863831e+00 2.60 -1.838145685e+00 -1.838145685e+00 2.62 -2.010383582e+00 -2.010383582e+00 2.64 -2.165529871e+00 -2.165529871e+00 2.66 -2.304504202e+00 -2.304504202e+00 2.68 -2.428200112e+00 -2.428200112e+00 2.70 -2.537461039e+00 -2.537461039e+00 2.72 -2.632988344e+00 -2.632988344e+00 2.74 -2.715447956e+00 -2.715447956e+00 2.76 -2.785506049e+00 -2.785506049e+00 2.78 -2.843822441e+00 -2.843822441e+00 2.80 -2.891047422e+00 -2.891047422e+00 2.82 -2.927818713e+00 -2.927818713e+00 2.84 -2.954764692e+00 -2.954764692e+00 2.86 -2.972508813e+00 -2.972508813e+00 2.88 -2.981676001e+00 -2.981676001e+00 2.90 -2.982898993e+00 -2.982898993e+00 2.92 -2.976822980e+00 -2.976822980e+00 2.94 -2.964107295e+00 -2.964107295e+00 2.96 -2.945423533e+00 -2.945423533e+00 2.98 -2.921449980e+00 -2.921449980e+00 3.00 -2.892862394e+00 -2.892862394e+00 3.02 -2.860321357e+00 -2.860321357e+00 3.04 -2.824456635e+00 -2.824456635e+00 3.06 -2.785852075e+00 -2.785852075e+00 3.08 -2.745028615e+00 -2.745028615e+00 3.10 -2.702435056e+00 -2.702435056e+00 3.12 -2.658442570e+00 -2.658442570e+00 3.14 -2.613348769e+00 -2.613348769e+00 3.16 -2.567381842e+00 -2.567381842e+00 3.18 -2.520714034e+00 -2.520714034e+00 3.20 -2.473473604e+00 -2.473473604e+00 3.22 -2.425757366e+00 -2.425757366e+00 3.24 -2.377642051e+00 -2.377642051e+00 3.26 -2.329193858e+00 -2.329193858e+00 3.28 -2.280475833e+00 -2.280475833e+00 3.30 -2.231552984e+00 -2.231552984e+00 3.32 -2.182495267e+00 -2.182495267e+00 3.34 -2.133386438e+00 -2.133386438e+00 3.36 -2.084360920e+00 -2.084360920e+00 3.38 -2.035446717e+00 -2.035446717e+00 3.40 -1.986665241e+00 -1.986665241e+00 3.42 -1.938060597e+00 -1.938060597e+00 3.44 -1.889698977e+00 -1.889698977e+00 3.46 -1.841663418e+00 -1.841663418e+00 3.48 -1.793949355e+00 -1.793949355e+00 3.50 -1.746491031e+00 -1.746491031e+00 3.52 -1.699287853e+00 -1.699287853e+00 3.54 -1.652397508e+00 -1.652397508e+00 3.56 -1.605920178e+00 -1.605920178e+00 3.58 -1.559981590e+00 -1.559981590e+00 3.60 -1.514716681e+00 -1.514716681e+00 3.62 -1.470255531e+00 -1.470255531e+00 3.64 -1.426712770e+00 -1.426712770e+00 3.66 -1.384180983e+00 -1.384180983e+00 3.68 -1.342727958e+00 -1.342727958e+00 3.70 -1.302397070e+00 -1.302397070e+00 3.72 -1.263209848e+00 -1.263209848e+00 3.74 -1.225169748e+00 -1.225169748e+00 3.76 -1.188266320e+00 -1.188266320e+00 3.78 -1.152479213e+00 -1.152479213e+00 3.80 -1.117781673e+00 -1.117781673e+00 3.82 -1.084143344e+00 -1.084143344e+00 3.84 -1.051532358e+00 -1.051532358e+00 3.86 -1.019916704e+00 -1.019916704e+00 3.88 -9.892649940e-01 -9.892649940e-01 3.90 -9.595467417e-01 -9.595467417e-01 3.92 -9.307321022e-01 -9.307321022e-01 3.94 -9.027925512e-01 -9.027925512e-01 3.96 -8.756992666e-01 -8.756992666e-01 3.98 -8.494239792e-01 -8.494239792e-01 4.00 -8.239387019e-01 -8.239387019e-01 4.02 -7.992158421e-01 -7.992158421e-01 4.04 -7.752283958e-01 -7.752283958e-01 4.06 -7.519501687e-01 -7.519501687e-01 4.08 -7.293559803e-01 -7.293559803e-01 4.10 -7.074210679e-01 -7.074210679e-01 4.12 -6.861243313e-01 -6.861243313e-01 4.14 -6.654433741e-01 -6.654433741e-01 4.16 -6.453580029e-01 -6.453580029e-01 4.18 -6.258492207e-01 -6.258492207e-01 4.20 -6.068991346e-01 -6.068991346e-01 4.22 -5.884908502e-01 -5.884908502e-01 4.24 -5.706083618e-01 -5.706083618e-01 4.26 -5.532364465e-01 -5.532364465e-01 4.28 -5.363605686e-01 -5.363605686e-01 4.30 -5.199667947e-01 -5.199667947e-01 4.32 -5.040417220e-01 -5.040417220e-01 4.34 -4.885724176e-01 -4.885724176e-01 4.36 -4.735463684e-01 -4.735463684e-01 4.38 -4.589514370e-01 -4.589514370e-01 4.40 -4.447758227e-01 -4.447758227e-01 4.42 -4.310080244e-01 -4.310080244e-01 4.44 -4.176368044e-01 -4.176368044e-01 4.46 -4.046511517e-01 -4.046511517e-01 4.48 -3.920402444e-01 -3.920402444e-01 4.50 -3.797934139e-01 -3.797934139e-01 4.52 -3.679001091e-01 -3.679001091e-01 4.54 -3.563498650e-01 -3.563498650e-01 4.56 -3.451322749e-01 -3.451322749e-01 4.58 -3.342369697e-01 -3.342369697e-01 4.60 -3.236536047e-01 -3.236536047e-01 4.62 -3.133718544e-01 -3.133718544e-01 4.64 -3.033814187e-01 -3.033814187e-01 4.66 -2.936720378e-01 -2.936720378e-01 4.68 -2.842335205e-01 -2.842335205e-01 4.70 -2.750557834e-01 -2.750557834e-01 4.72 -2.661289033e-01 -2.661289033e-01 4.74 -2.574431835e-01 -2.574431835e-01 4.76 -2.489892343e-01 -2.489892343e-01 4.78 -2.407580686e-01 -2.407580686e-01 4.80 -2.327407914e-01 -2.327407914e-01 4.82 -2.249304770e-01 -2.249304770e-01 4.84 -2.173195474e-01 -2.173195474e-01 4.86 -2.099018386e-01 -2.099018386e-01 4.88 -2.026722209e-01 -2.026722209e-01 4.90 -1.956267107e-01 -1.956267107e-01 4.92 -1.887625461e-01 -1.887625461e-01 4.94 -1.820782096e-01 -1.820782096e-01 4.96 -1.755733785e-01 -1.755733785e-01 4.98 -1.692487918e-01 -1.692487918e-01 5.00 -1.631060265e-01 -1.631060265e-01 5.02 -1.571471910e-01 -1.571471910e-01 5.04 -1.513745540e-01 -1.513745540e-01 5.06 -1.457901406e-01 -1.457901406e-01 5.08 -1.403953349e-01 -1.403953349e-01 5.10 -1.351905301e-01 -1.351905301e-01 5.12 -1.301748633e-01 -1.301748633e-01 5.14 -1.253460570e-01 -1.253460570e-01 5.16 -1.207003788e-01 -1.207003788e-01 5.18 -1.162327116e-01 -1.162327116e-01 5.20 -1.119367154e-01 -1.119367154e-01 5.22 -1.078050533e-01 -1.078050533e-01 5.24 -1.038296553e-01 -1.038296553e-01 5.26 -1.000019882e-01 -1.000019882e-01 5.28 -9.631331208e-02 -9.631331208e-02 5.30 -9.275490813e-02 -9.275490813e-02 5.32 -8.931826752e-02 -8.931826752e-02 5.34 -8.599523805e-02 -8.599523805e-02 5.36 -8.277812834e-02 -8.277812834e-02 5.38 -7.965977222e-02 -7.965977222e-02 5.40 -7.663355797e-02 -7.663355797e-02 5.42 -7.369342675e-02 -7.369342675e-02 5.44 -7.083384896e-02 -7.083384896e-02 5.46 -6.804978377e-02 -6.804978377e-02 5.48 -6.533663045e-02 -6.533663045e-02 5.50 -6.269017996e-02 -6.269017996e-02 5.52 -6.010657567e-02 -6.010657567e-02 5.54 -5.758229077e-02 -5.758229077e-02 5.56 -5.511413035e-02 -5.511413035e-02 5.58 -5.269925597e-02 -5.269925597e-02 5.60 -5.033523376e-02 -5.033523376e-02 5.62 -4.802011128e-02 -4.802011128e-02 5.64 -4.575250407e-02 -4.575250407e-02 5.66 -4.353168425e-02 -4.353168425e-02 5.68 -4.135765770e-02 -4.135765770e-02 5.70 -3.923121609e-02 -3.923121609e-02 5.72 -3.715395046e-02 -3.715395046e-02 5.74 -3.512821584e-02 -3.512821584e-02 5.76 -3.315700888e-02 -3.315700888e-02 5.78 -3.124352051e-02 -3.124352051e-02 5.80 -2.939112147e-02 -2.939112147e-02 5.82 -2.760414692e-02 -2.760414692e-02 5.84 -2.588676070e-02 -2.588676070e-02 5.86 -2.424267649e-02 -2.424267649e-02 5.88 -2.267493125e-02 -2.267493125e-02 5.90 -2.118570303e-02 -2.118570303e-02 5.92 -1.977618729e-02 -1.977618729e-02 5.94 -1.844653899e-02 -1.844653899e-02 5.96 -1.719588060e-02 -1.719588060e-02 5.98 -1.602236970e-02 -1.602236970e-02 6.00 -1.492331492e-02 -1.492331492e-02