# 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 = MoNi2Zr # 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 2.040121160e+02 2.040121160e+02 1.30 1.881283933e+02 1.881283933e+02 1.32 1.734665651e+02 1.734665651e+02 1.34 1.599222859e+02 1.599222859e+02 1.36 1.474008793e+02 1.474008793e+02 1.38 1.358173577e+02 1.358173577e+02 1.40 1.250956699e+02 1.250956699e+02 1.42 1.151674981e+02 1.151674981e+02 1.44 1.059710220e+02 1.059710220e+02 1.46 9.745001829e+01 9.745001829e+01 1.48 8.955333324e+01 8.955333324e+01 1.50 8.223440018e+01 8.223440018e+01 1.52 7.545075031e+01 7.545075031e+01 1.54 6.916359043e+01 6.916359043e+01 1.56 6.333741795e+01 6.333741795e+01 1.58 5.793962870e+01 5.793962870e+01 1.60 5.294012152e+01 5.294012152e+01 1.62 4.831099027e+01 4.831099027e+01 1.64 4.402629493e+01 4.402629493e+01 1.66 4.006180551e+01 4.006180551e+01 1.68 3.639468859e+01 3.639468859e+01 1.70 3.300327275e+01 3.300327275e+01 1.72 2.986686275e+01 2.986686275e+01 1.74 2.696567441e+01 2.696567441e+01 1.76 2.428090135e+01 2.428090135e+01 1.78 2.179494722e+01 2.179494722e+01 1.80 1.949212446e+01 1.949212446e+01 1.82 1.735878370e+01 1.735878370e+01 1.84 1.538379263e+01 1.538379263e+01 1.86 1.355559105e+01 1.355559105e+01 1.88 1.186384169e+01 1.186384169e+01 1.90 1.029935598e+01 1.029935598e+01 1.92 8.853835896e+00 8.853835896e+00 1.94 7.519637637e+00 7.519637637e+00 1.96 6.289564342e+00 6.289564342e+00 1.98 5.156773794e+00 5.156773794e+00 2.00 4.114754222e+00 4.114754222e+00 2.02 3.157309465e+00 3.157309465e+00 2.04 2.278529278e+00 2.278529278e+00 2.06 1.472747486e+00 1.472747486e+00 2.08 7.345060921e-01 7.345060921e-01 2.10 5.855727190e-02 5.855727190e-02 2.12 -5.600906378e-01 -5.600906378e-01 2.14 -1.126103778e+00 -1.126103778e+00 2.16 -1.643746298e+00 -1.643746298e+00 2.18 -2.116850144e+00 -2.116850144e+00 2.20 -2.548831937e+00 -2.548831937e+00 2.22 -2.942763565e+00 -2.942763565e+00 2.24 -3.301445947e+00 -3.301445947e+00 2.26 -3.627464355e+00 -3.627464355e+00 2.28 -3.923231804e+00 -3.923231804e+00 2.30 -4.190992093e+00 -4.190992093e+00 2.32 -4.432863044e+00 -4.432863044e+00 2.34 -4.650830138e+00 -4.650830138e+00 2.36 -4.846765994e+00 -4.846765994e+00 2.38 -5.022415288e+00 -5.022415288e+00 2.40 -5.179377176e+00 -5.179377176e+00 2.42 -5.319100447e+00 -5.319100447e+00 2.44 -5.442887363e+00 -5.442887363e+00 2.46 -5.551916317e+00 -5.551916317e+00 2.48 -5.647258602e+00 -5.647258602e+00 2.50 -5.729886633e+00 -5.729886633e+00 2.52 -5.800686847e+00 -5.800686847e+00 2.54 -5.860488201e+00 -5.860488201e+00 2.56 -5.909888253e+00 -5.909888253e+00 2.58 -5.949360773e+00 -5.949360773e+00 2.60 -5.979233846e+00 -5.979233846e+00 2.62 -5.999987803e+00 -5.999987803e+00 2.64 -6.012101812e+00 -6.012101812e+00 2.66 -6.016035419e+00 -6.016035419e+00 2.68 -6.012206488e+00 -6.012206488e+00 2.70 -6.000898743e+00 -6.000898743e+00 2.72 -5.982434151e+00 -5.982434151e+00 2.74 -5.957200454e+00 -5.957200454e+00 2.76 -5.925601473e+00 -5.925601473e+00 2.78 -5.887926590e+00 -5.887926590e+00 2.80 -5.844457817e+00 -5.844457817e+00 2.82 -5.795480008e+00 -5.795480008e+00 2.84 -5.741280255e+00 -5.741280255e+00 2.86 -5.682143115e+00 -5.682143115e+00 2.88 -5.618356718e+00 -5.618356718e+00 2.90 -5.550223401e+00 -5.550223401e+00 2.92 -5.478070498e+00 -5.478070498e+00 2.94 -5.402257889e+00 -5.402257889e+00 2.96 -5.323173157e+00 -5.323173157e+00 2.98 -5.241115130e+00 -5.241115130e+00 3.00 -5.156329083e+00 -5.156329083e+00 3.02 -5.069101726e+00 -5.069101726e+00 3.04 -4.979740048e+00 -4.979740048e+00 3.06 -4.888563065e+00 -4.888563065e+00 3.08 -4.795865378e+00 -4.795865378e+00 3.10 -4.701918967e+00 -4.701918967e+00 3.12 -4.606960609e+00 -4.606960609e+00 3.14 -4.511197334e+00 -4.511197334e+00 3.16 -4.414795348e+00 -4.414795348e+00 3.18 -4.317892603e+00 -4.317892603e+00 3.20 -4.220601803e+00 -4.220601803e+00 3.22 -4.123017122e+00 -4.123017122e+00 3.24 -4.025222155e+00 -4.025222155e+00 3.26 -3.927298743e+00 -3.927298743e+00 3.28 -3.829335796e+00 -3.829335796e+00 3.30 -3.731436749e+00 -3.731436749e+00 3.32 -3.633724342e+00 -3.633724342e+00 3.34 -3.536342012e+00 -3.536342012e+00 3.36 -3.439452153e+00 -3.439452153e+00 3.38 -3.343232194e+00 -3.343232194e+00 3.40 -3.247868538e+00 -3.247868538e+00 3.42 -3.153556517e+00 -3.153556517e+00 3.44 -3.060487603e+00 -3.060487603e+00 3.46 -2.968850186e+00 -2.968850186e+00 3.48 -2.878822977e+00 -2.878822977e+00 3.50 -2.790569704e+00 -2.790569704e+00 3.52 -2.704233900e+00 -2.704233900e+00 3.54 -2.619934277e+00 -2.619934277e+00 3.56 -2.537761268e+00 -2.537761268e+00 3.58 -2.457775115e+00 -2.457775115e+00 3.60 -2.380005716e+00 -2.380005716e+00 3.62 -2.304454177e+00 -2.304454177e+00 3.64 -2.231095842e+00 -2.231095842e+00 3.66 -2.159884496e+00 -2.159884496e+00 3.68 -2.090757404e+00 -2.090757404e+00 3.70 -2.023640885e+00 -2.023640885e+00 3.72 -1.958456145e+00 -1.958456145e+00 3.74 -1.895125124e+00 -1.895125124e+00 3.76 -1.833576065e+00 -1.833576065e+00 3.78 -1.773748454e+00 -1.773748454e+00 3.80 -1.715596906e+00 -1.715596906e+00 3.82 -1.659093482e+00 -1.659093482e+00 3.84 -1.604227983e+00 -1.604227983e+00 3.86 -1.551005923e+00 -1.551005923e+00 3.88 -1.499444210e+00 -1.499444210e+00 3.90 -1.449564998e+00 -1.449564998e+00 3.92 -1.401386741e+00 -1.401386741e+00 3.94 -1.354925042e+00 -1.354925042e+00 3.96 -1.310174764e+00 -1.310174764e+00 3.98 -1.267115194e+00 -1.267115194e+00 4.00 -1.225706656e+00 -1.225706656e+00 4.02 -1.185891690e+00 -1.185891690e+00 4.04 -1.147597910e+00 -1.147597910e+00 4.06 -1.110741808e+00 -1.110741808e+00 4.08 -1.075232812e+00 -1.075232812e+00 4.10 -1.040972860e+00 -1.040972860e+00 4.12 -1.007877119e+00 -1.007877119e+00 4.14 -9.758487047e-01 -9.758487047e-01 4.16 -9.447999373e-01 -9.447999373e-01 4.18 -9.146483157e-01 -9.146483157e-01 4.20 -8.853172760e-01 -8.853172760e-01 4.22 -8.567367135e-01 -8.567367135e-01 4.24 -8.288434115e-01 -8.288434115e-01 4.26 -8.015814905e-01 -8.015814905e-01 4.28 -7.749029482e-01 -7.749029482e-01 4.30 -7.487683149e-01 -7.487683149e-01 4.32 -7.231474028e-01 -7.231474028e-01 4.34 -6.980200744e-01 -6.980200744e-01 4.36 -6.733769153e-01 -6.733769153e-01 4.38 -6.492196542e-01 -6.492196542e-01 4.40 -6.255611563e-01 -6.255611563e-01 4.42 -6.024248267e-01 -6.024248267e-01 4.44 -5.798432995e-01 -5.798432995e-01 4.46 -5.578563743e-01 -5.578563743e-01 4.48 -5.365082670e-01 -5.365082670e-01 4.50 -5.158443640e-01 -5.158443640e-01 4.52 -4.959077703e-01 -4.959077703e-01 4.54 -4.767360040e-01 -4.767360040e-01 4.56 -4.583581852e-01 -4.583581852e-01 4.58 -4.407930035e-01 -4.407930035e-01 4.60 -4.240476291e-01 -4.240476291e-01 4.62 -4.081175957e-01 -4.081175957e-01 4.64 -3.929875525e-01 -3.929875525e-01 4.66 -3.786326863e-01 -3.786326863e-01 4.68 -3.650205714e-01 -3.650205714e-01 4.70 -3.521131995e-01 -3.521131995e-01 4.72 -3.398689711e-01 -3.398689711e-01 4.74 -3.282442587e-01 -3.282442587e-01 4.76 -3.171955625e-01 -3.171955625e-01 4.78 -3.066804253e-01 -3.066804253e-01 4.80 -2.966549472e-01 -2.966549472e-01 4.82 -2.870876741e-01 -2.870876741e-01 4.84 -2.779391820e-01 -2.779391820e-01 4.86 -2.691767750e-01 -2.691767750e-01 4.88 -2.607706542e-01 -2.607706542e-01 4.90 -2.526938092e-01 -2.526938092e-01 4.92 -2.449218392e-01 -2.449218392e-01 4.94 -2.374327328e-01 -2.374327328e-01 4.96 -2.302066292e-01 -2.302066292e-01 4.98 -2.232255770e-01 -2.232255770e-01 5.00 -2.164733025e-01 -2.164733025e-01 5.02 -2.099349930e-01 -2.099349930e-01 5.04 -2.035971012e-01 -2.035971012e-01 5.06 -1.974471726e-01 -1.974471726e-01 5.08 -1.914736963e-01 -1.914736963e-01 5.10 -1.856659818e-01 -1.856659818e-01 5.12 -1.800140600e-01 -1.800140600e-01 5.14 -1.745086093e-01 -1.745086093e-01 5.16 -1.691409077e-01 -1.691409077e-01 5.18 -1.639028094e-01 -1.639028094e-01 5.20 -1.587867472e-01 -1.587867472e-01 5.22 -1.537857587e-01 -1.537857587e-01 5.24 -1.488935373e-01 -1.488935373e-01 5.26 -1.441045027e-01 -1.441045027e-01 5.28 -1.394138897e-01 -1.394138897e-01 5.30 -1.348178463e-01 -1.348178463e-01 5.32 -1.303135349e-01 -1.303135349e-01 5.34 -1.258992233e-01 -1.258992233e-01 5.36 -1.215743537e-01 -1.215743537e-01 5.38 -1.173395743e-01 -1.173395743e-01 5.40 -1.131967172e-01 -1.131967172e-01 5.42 -1.091487127e-01 -1.091487127e-01 5.44 -1.051994319e-01 -1.051994319e-01 5.46 -1.013534581e-01 -1.013534581e-01 5.48 -9.761579140e-02 -9.761579140e-02 5.50 -9.399151152e-02 -9.399151152e-02 5.52 -9.048542076e-02 -9.048542076e-02 5.54 -8.710169498e-02 -8.710169498e-02 5.56 -8.384357402e-02 -8.384357402e-02 5.58 -8.071311822e-02 -8.071311822e-02 5.60 -7.771093268e-02 -7.771093268e-02 5.62 -7.483627259e-02 -7.483627259e-02 5.64 -7.208718476e-02 -7.208718476e-02 5.66 -6.946039258e-02 -6.946039258e-02 5.68 -6.695146302e-02 -6.695146302e-02 5.70 -6.455501240e-02 -6.455501240e-02 5.72 -6.226492820e-02 -6.226492820e-02 5.74 -6.007458837e-02 -6.007458837e-02 5.76 -5.797706383e-02 -5.797706383e-02 5.78 -5.596529490e-02 -5.596529490e-02 5.80 -5.403223704e-02 -5.403223704e-02 5.82 -5.217097517e-02 -5.217097517e-02 5.84 -5.037480845e-02 -5.037480845e-02 5.86 -4.863730960e-02 -4.863730960e-02 5.88 -4.695236342e-02 -4.695236342e-02 5.90 -4.531418986e-02 -4.531418986e-02 5.92 -4.371735649e-02 -4.371735649e-02 5.94 -4.215678513e-02 -4.215678513e-02 5.96 -4.062775659e-02 -4.062775659e-02 5.98 -3.912591679e-02 -3.912591679e-02 6.00 -3.764728700e-02 -3.764728700e-02