# 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 = MgPtZr2 # 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 4.824047702e+02 4.824047702e+02 1.30 4.503974041e+02 4.503974041e+02 1.32 4.205975836e+02 4.205975836e+02 1.34 3.928390473e+02 3.928390473e+02 1.36 3.669732274e+02 3.669732274e+02 1.38 3.428623388e+02 3.428623388e+02 1.40 3.203746118e+02 3.203746118e+02 1.42 2.993846870e+02 2.993846870e+02 1.44 2.797768602e+02 2.797768602e+02 1.46 2.614470595e+02 2.614470595e+02 1.48 2.443024202e+02 2.443024202e+02 1.50 2.282599231e+02 2.282599231e+02 1.52 2.132448788e+02 2.132448788e+02 1.54 1.991888878e+02 1.991888878e+02 1.56 1.860279073e+02 1.860279073e+02 1.58 1.737007286e+02 1.737007286e+02 1.60 1.621485134e+02 1.621485134e+02 1.62 1.513151818e+02 1.513151818e+02 1.64 1.411485059e+02 1.411485059e+02 1.66 1.316011056e+02 1.316011056e+02 1.68 1.226310916e+02 1.226310916e+02 1.70 1.142019617e+02 1.142019617e+02 1.72 1.062816884e+02 1.062816884e+02 1.74 9.884120484e+01 9.884120484e+01 1.76 9.185287217e+01 9.185287217e+01 1.78 8.528954513e+01 8.528954513e+01 1.80 7.912454116e+01 7.912454116e+01 1.82 7.333206028e+01 7.333206028e+01 1.84 6.788776954e+01 6.788776954e+01 1.86 6.276904332e+01 6.276904332e+01 1.88 5.795478066e+01 5.795478066e+01 1.90 5.342504818e+01 5.342504818e+01 1.92 4.916155633e+01 4.916155633e+01 1.94 4.514693082e+01 4.514693082e+01 1.96 4.136453090e+01 4.136453090e+01 1.98 3.781783219e+01 3.781783219e+01 2.00 3.452036657e+01 3.452036657e+01 2.02 3.145506159e+01 3.145506159e+01 2.04 2.860615859e+01 2.860615859e+01 2.06 2.595929683e+01 2.595929683e+01 2.08 2.350127440e+01 2.350127440e+01 2.10 2.121986767e+01 2.121986767e+01 2.12 1.910360401e+01 1.910360401e+01 2.14 1.714158610e+01 1.714158610e+01 2.16 1.532336463e+01 1.532336463e+01 2.18 1.363890738e+01 1.363890738e+01 2.20 1.207867151e+01 1.207867151e+01 2.22 1.063368041e+01 1.063368041e+01 2.24 9.295594844e+00 9.295594844e+00 2.26 8.056752561e+00 8.056752561e+00 2.28 6.910162767e+00 6.910162767e+00 2.30 5.849501710e+00 5.849501710e+00 2.32 4.869041587e+00 4.869041587e+00 2.34 3.963566063e+00 3.963566063e+00 2.36 3.128273679e+00 3.128273679e+00 2.38 2.358681781e+00 2.358681781e+00 2.40 1.650548735e+00 1.650548735e+00 2.42 9.998115085e-01 9.998115085e-01 2.44 4.025618210e-01 4.025618210e-01 2.46 -1.449717826e-01 -1.449717826e-01 2.48 -6.464177845e-01 -6.464177845e-01 2.50 -1.105249632e+00 -1.105249632e+00 2.52 -1.524770669e+00 -1.524770669e+00 2.54 -1.908095335e+00 -1.908095335e+00 2.56 -2.258124239e+00 -2.258124239e+00 2.58 -2.577516139e+00 -2.577516139e+00 2.60 -2.868666924e+00 -2.868666924e+00 2.62 -3.133703606e+00 -3.133703606e+00 2.64 -3.374515112e+00 -3.374515112e+00 2.66 -3.592767946e+00 -3.592767946e+00 2.68 -3.789962113e+00 -3.789962113e+00 2.70 -3.967466256e+00 -3.967466256e+00 2.72 -4.126552421e+00 -4.126552421e+00 2.74 -4.268513400e+00 -4.268513400e+00 2.76 -4.394413799e+00 -4.394413799e+00 2.78 -4.505197011e+00 -4.505197011e+00 2.80 -4.601773337e+00 -4.601773337e+00 2.82 -4.685027645e+00 -4.685027645e+00 2.84 -4.756635116e+00 -4.756635116e+00 2.86 -4.817561093e+00 -4.817561093e+00 2.88 -4.868300349e+00 -4.868300349e+00 2.90 -4.909353606e+00 -4.909353606e+00 2.92 -4.941111976e+00 -4.941111976e+00 2.94 -4.963879894e+00 -4.963879894e+00 2.96 -4.978025962e+00 -4.978025962e+00 2.98 -4.983978469e+00 -4.983978469e+00 3.00 -4.982208086e+00 -4.982208086e+00 3.02 -4.973207630e+00 -4.973207630e+00 3.04 -4.957467832e+00 -4.957467832e+00 3.06 -4.935476949e+00 -4.935476949e+00 3.08 -4.907683230e+00 -4.907683230e+00 3.10 -4.874509673e+00 -4.874509673e+00 3.12 -4.836346487e+00 -4.836346487e+00 3.14 -4.793574961e+00 -4.793574961e+00 3.16 -4.746545471e+00 -4.746545471e+00 3.18 -4.695604669e+00 -4.695604669e+00 3.20 -4.641094833e+00 -4.641094833e+00 3.22 -4.583357513e+00 -4.583357513e+00 3.24 -4.522736297e+00 -4.522736297e+00 3.26 -4.459578738e+00 -4.459578738e+00 3.28 -4.394236601e+00 -4.394236601e+00 3.30 -4.327063046e+00 -4.327063046e+00 3.32 -4.258405795e+00 -4.258405795e+00 3.34 -4.188596713e+00 -4.188596713e+00 3.36 -4.117939902e+00 -4.117939902e+00 3.38 -4.046701370e+00 -4.046701370e+00 3.40 -3.975101333e+00 -3.975101333e+00 3.42 -3.903320351e+00 -3.903320351e+00 3.44 -3.831492888e+00 -3.831492888e+00 3.46 -3.759722334e+00 -3.759722334e+00 3.48 -3.688087359e+00 -3.688087359e+00 3.50 -3.616649582e+00 -3.616649582e+00 3.52 -3.545459532e+00 -3.545459532e+00 3.54 -3.474560636e+00 -3.474560636e+00 3.56 -3.403991427e+00 -3.403991427e+00 3.58 -3.333786439e+00 -3.333786439e+00 3.60 -3.263976275e+00 -3.263976275e+00 3.62 -3.194587294e+00 -3.194587294e+00 3.64 -3.125641306e+00 -3.125641306e+00 3.66 -3.057155541e+00 -3.057155541e+00 3.68 -2.989143114e+00 -2.989143114e+00 3.70 -2.921614127e+00 -2.921614127e+00 3.72 -2.854577467e+00 -2.854577467e+00 3.74 -2.788043271e+00 -2.788043271e+00 3.76 -2.722025902e+00 -2.722025902e+00 3.78 -2.656547576e+00 -2.656547576e+00 3.80 -2.591658566e+00 -2.591658566e+00 3.82 -2.527441496e+00 -2.527441496e+00 3.84 -2.463986784e+00 -2.463986784e+00 3.86 -2.401390336e+00 -2.401390336e+00 3.88 -2.339752957e+00 -2.339752957e+00 3.90 -2.279184515e+00 -2.279184515e+00 3.92 -2.219764110e+00 -2.219764110e+00 3.94 -2.161566255e+00 -2.161566255e+00 3.96 -2.104638268e+00 -2.104638268e+00 3.98 -2.049013225e+00 -2.049013225e+00 4.00 -1.994705320e+00 -1.994705320e+00 4.02 -1.941711548e+00 -1.941711548e+00 4.04 -1.890014958e+00 -1.890014958e+00 4.06 -1.839588792e+00 -1.839588792e+00 4.08 -1.790397680e+00 -1.790397680e+00 4.10 -1.742380448e+00 -1.742380448e+00 4.12 -1.695493304e+00 -1.695493304e+00 4.14 -1.649678058e+00 -1.649678058e+00 4.16 -1.604893338e+00 -1.604893338e+00 4.18 -1.561107157e+00 -1.561107157e+00 4.20 -1.518296615e+00 -1.518296615e+00 4.22 -1.476446835e+00 -1.476446835e+00 4.24 -1.435549289e+00 -1.435549289e+00 4.26 -1.395599703e+00 -1.395599703e+00 4.28 -1.356595795e+00 -1.356595795e+00 4.30 -1.318535060e+00 -1.318535060e+00 4.32 -1.281412851e+00 -1.281412851e+00 4.34 -1.245220887e+00 -1.245220887e+00 4.36 -1.209946283e+00 -1.209946283e+00 4.38 -1.175571095e+00 -1.175571095e+00 4.40 -1.142072314e+00 -1.142072314e+00 4.42 -1.109422215e+00 -1.109422215e+00 4.44 -1.077588941e+00 -1.077588941e+00 4.46 -1.046537223e+00 -1.046537223e+00 4.48 -1.016229154e+00 -1.016229154e+00 4.50 -9.866249640e-01 -9.866249640e-01 4.52 -9.576837805e-01 -9.576837805e-01 4.54 -9.293643631e-01 -9.293643631e-01 4.56 -9.016258368e-01 -9.016258368e-01 4.58 -8.744284422e-01 -8.744284422e-01 4.60 -8.477343293e-01 -8.477343293e-01 4.62 -8.215084127e-01 -8.215084127e-01 4.64 -7.957192954e-01 -7.957192954e-01 4.66 -7.703402504e-01 -7.703402504e-01 4.68 -7.453502297e-01 -7.453502297e-01 4.70 -7.207348443e-01 -7.207348443e-01 4.72 -6.964872384e-01 -6.964872384e-01 4.74 -6.726087589e-01 -6.726087589e-01 4.76 -6.491093142e-01 -6.491093142e-01 4.78 -6.260073167e-01 -6.260073167e-01 4.80 -6.033229496e-01 -6.033229496e-01 4.82 -5.811028197e-01 -5.811028197e-01 4.84 -5.593779660e-01 -5.593779660e-01 4.86 -5.381899988e-01 -5.381899988e-01 4.88 -5.175812751e-01 -5.175812751e-01 4.90 -4.975923877e-01 -4.975923877e-01 4.92 -4.782597489e-01 -4.782597489e-01 4.94 -4.596134781e-01 -4.596134781e-01 4.96 -4.416757651e-01 -4.416757651e-01 4.98 -4.244598222e-01 -4.244598222e-01 5.00 -4.079694626e-01 -4.079694626e-01 5.02 -3.921992745e-01 -3.921992745e-01 5.04 -3.771353017e-01 -3.771353017e-01 5.06 -3.627561059e-01 -3.627561059e-01 5.08 -3.490340725e-01 -3.490340725e-01 5.10 -3.359368260e-01 -3.359368260e-01 5.12 -3.234286439e-01 -3.234286439e-01 5.14 -3.114717862e-01 -3.114717862e-01 5.16 -3.000276850e-01 -3.000276850e-01 5.18 -2.890579709e-01 -2.890579709e-01 5.20 -2.785253303e-01 -2.785253303e-01 5.22 -2.683942053e-01 -2.683942053e-01 5.24 -2.586313568e-01 -2.586313568e-01 5.26 -2.492063127e-01 -2.492063127e-01 5.28 -2.400917226e-01 -2.400917226e-01 5.30 -2.312636335e-01 -2.312636335e-01 5.32 -2.227016955e-01 -2.227016955e-01 5.34 -2.143892946e-01 -2.143892946e-01 5.36 -2.063136051e-01 -2.063136051e-01 5.38 -1.984655460e-01 -1.984655460e-01 5.40 -1.908396233e-01 -1.908396233e-01 5.42 -1.834336428e-01 -1.834336428e-01 5.44 -1.762482840e-01 -1.762482840e-01 5.46 -1.692865406e-01 -1.692865406e-01 5.48 -1.625530440e-01 -1.625530440e-01 5.50 -1.560533082e-01 -1.560533082e-01 5.52 -1.497929434e-01 -1.497929434e-01 5.54 -1.437768994e-01 -1.437768994e-01 5.56 -1.380087945e-01 -1.380087945e-01 5.58 -1.324903814e-01 -1.324903814e-01 5.60 -1.272211850e-01 -1.272211850e-01 5.62 -1.221983268e-01 -1.221983268e-01 5.64 -1.174165291e-01 -1.174165291e-01 5.66 -1.128682752e-01 -1.128682752e-01 5.68 -1.085440885e-01 -1.085440885e-01 5.70 -1.044328909e-01 -1.044328909e-01 5.72 -1.005223303e-01 -1.005223303e-01 5.74 -9.679915776e-02 -9.679915776e-02 5.76 -9.324992255e-02 -9.324992255e-02 5.78 -8.986102650e-02 -8.986102650e-02 5.80 -8.661898093e-02 -8.661898093e-02 5.82 -8.351062305e-02 -8.351062305e-02 5.84 -8.052327501e-02 -8.052327501e-02 5.86 -7.764485290e-02 -7.764485290e-02 5.88 -7.486393482e-02 -7.486393482e-02 5.90 -7.216979794e-02 -7.216979794e-02 5.92 -6.955243402e-02 -6.955243402e-02 5.94 -6.700255221e-02 -6.700255221e-02 5.96 -6.451157651e-02 -6.451157651e-02 5.98 -6.207164411e-02 -6.207164411e-02 6.00 -5.967560964e-02 -5.967560964e-02