# 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 = NiPb2Ti # 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 3.304310578e+02 3.304310578e+02 1.30 3.082577914e+02 3.082577914e+02 1.32 2.876458263e+02 2.876458263e+02 1.34 2.684748414e+02 2.684748414e+02 1.36 2.506331923e+02 2.506331923e+02 1.38 2.340171479e+02 2.340171479e+02 1.40 2.185317587e+02 2.185317587e+02 1.42 2.040915380e+02 2.040915380e+02 1.44 1.906196714e+02 1.906196714e+02 1.46 1.780462668e+02 1.780462668e+02 1.48 1.663069144e+02 1.663069144e+02 1.50 1.553420521e+02 1.553420521e+02 1.52 1.450966472e+02 1.450966472e+02 1.54 1.355198039e+02 1.355198039e+02 1.56 1.265642262e+02 1.265642262e+02 1.58 1.181858025e+02 1.181858025e+02 1.60 1.103434124e+02 1.103434124e+02 1.62 1.029990268e+02 1.029990268e+02 1.64 9.611783062e+01 9.611783062e+01 1.66 8.966819003e+01 8.966819003e+01 1.68 8.362136943e+01 8.362136943e+01 1.70 7.795110370e+01 7.795110370e+01 1.72 7.263315611e+01 7.263315611e+01 1.74 6.764506419e+01 6.764506419e+01 1.76 6.296893809e+01 6.296893809e+01 1.78 5.859530506e+01 5.859530506e+01 1.80 5.450494320e+01 5.450494320e+01 1.82 5.067904800e+01 5.067904800e+01 1.84 4.710012640e+01 4.710012640e+01 1.86 4.375192460e+01 4.375192460e+01 1.88 4.061935863e+01 4.061935863e+01 1.90 3.768841922e+01 3.768841922e+01 1.92 3.494605090e+01 3.494605090e+01 1.94 3.238006162e+01 3.238006162e+01 1.96 2.997902042e+01 2.997902042e+01 1.98 2.773218289e+01 2.773218289e+01 2.00 2.562943648e+01 2.562943648e+01 2.02 2.366127780e+01 2.366127780e+01 2.04 2.181881183e+01 2.181881183e+01 2.06 2.009376572e+01 2.009376572e+01 2.08 1.847850919e+01 1.847850919e+01 2.10 1.696605358e+01 1.696605358e+01 2.12 1.555003090e+01 1.555003090e+01 2.14 1.422462506e+01 1.422462506e+01 2.16 1.298448111e+01 1.298448111e+01 2.18 1.182461029e+01 1.182461029e+01 2.20 1.074030472e+01 1.074030472e+01 2.22 9.727083180e+00 9.727083180e+00 2.24 8.780666426e+00 8.780666426e+00 2.26 7.896981540e+00 7.896981540e+00 2.28 7.072184668e+00 7.072184668e+00 2.30 6.302675479e+00 6.302675479e+00 2.32 5.585089168e+00 5.585089168e+00 2.34 4.916274731e+00 4.916274731e+00 2.36 4.293245166e+00 4.293245166e+00 2.38 3.713141848e+00 3.713141848e+00 2.40 3.173216105e+00 3.173216105e+00 2.42 2.670832878e+00 2.670832878e+00 2.44 2.203487897e+00 2.203487897e+00 2.46 1.768830152e+00 1.768830152e+00 2.48 1.364678513e+00 1.364678513e+00 2.50 9.890282976e-01 9.890282976e-01 2.52 6.400472515e-01 6.400472515e-01 2.54 3.160635784e-01 3.160635784e-01 2.56 1.554950975e-02 1.554950975e-02 2.58 -2.628969934e-01 -2.628969934e-01 2.60 -5.205743889e-01 -5.205743889e-01 2.62 -7.587350470e-01 -7.587350470e-01 2.64 -9.784903355e-01 -9.784903355e-01 2.66 -1.180875023e+00 -1.180875023e+00 2.68 -1.366892551e+00 -1.366892551e+00 2.70 -1.537521767e+00 -1.537521767e+00 2.72 -1.693718798e+00 -1.693718798e+00 2.74 -1.836414394e+00 -1.836414394e+00 2.76 -1.966507289e+00 -1.966507289e+00 2.78 -2.084847807e+00 -2.084847807e+00 2.80 -2.192171348e+00 -2.192171348e+00 2.82 -2.289071537e+00 -2.289071537e+00 2.84 -2.376055800e+00 -2.376055800e+00 2.86 -2.453618647e+00 -2.453618647e+00 2.88 -2.522242325e+00 -2.522242325e+00 2.90 -2.582395715e+00 -2.582395715e+00 2.92 -2.634533902e+00 -2.634533902e+00 2.94 -2.679097963e+00 -2.679097963e+00 2.96 -2.716515088e+00 -2.716515088e+00 2.98 -2.747199400e+00 -2.747199400e+00 3.00 -2.771553547e+00 -2.771553547e+00 3.02 -2.789970663e+00 -2.789970663e+00 3.04 -2.802835396e+00 -2.802835396e+00 3.06 -2.810526833e+00 -2.810526833e+00 3.08 -2.813414405e+00 -2.813414405e+00 3.10 -2.811859548e+00 -2.811859548e+00 3.12 -2.806213046e+00 -2.806213046e+00 3.14 -2.796819647e+00 -2.796819647e+00 3.16 -2.784009998e+00 -2.784009998e+00 3.18 -2.768105525e+00 -2.768105525e+00 3.20 -2.749415046e+00 -2.749415046e+00 3.22 -2.728231620e+00 -2.728231620e+00 3.24 -2.704828604e+00 -2.704828604e+00 3.26 -2.679464249e+00 -2.679464249e+00 3.28 -2.652421940e+00 -2.652421940e+00 3.30 -2.623857035e+00 -2.623857035e+00 3.32 -2.593887129e+00 -2.593887129e+00 3.34 -2.562618646e+00 -2.562618646e+00 3.36 -2.530147955e+00 -2.530147955e+00 3.38 -2.496563219e+00 -2.496563219e+00 3.40 -2.461946221e+00 -2.461946221e+00 3.42 -2.426375485e+00 -2.426375485e+00 3.44 -2.389925253e+00 -2.389925253e+00 3.46 -2.352657605e+00 -2.352657605e+00 3.48 -2.314629483e+00 -2.314629483e+00 3.50 -2.275903720e+00 -2.275903720e+00 3.52 -2.236548998e+00 -2.236548998e+00 3.54 -2.196639113e+00 -2.196639113e+00 3.56 -2.156251482e+00 -2.156251482e+00 3.58 -2.115465055e+00 -2.115465055e+00 3.60 -2.074357966e+00 -2.074357966e+00 3.62 -2.033005467e+00 -2.033005467e+00 3.64 -1.991478613e+00 -1.991478613e+00 3.66 -1.949843961e+00 -1.949843961e+00 3.68 -1.908164246e+00 -1.908164246e+00 3.70 -1.866499718e+00 -1.866499718e+00 3.72 -1.824909695e+00 -1.824909695e+00 3.74 -1.783453916e+00 -1.783453916e+00 3.76 -1.742193410e+00 -1.742193410e+00 3.78 -1.701190773e+00 -1.701190773e+00 3.80 -1.660509887e+00 -1.660509887e+00 3.82 -1.620215178e+00 -1.620215178e+00 3.84 -1.580370536e+00 -1.580370536e+00 3.86 -1.541037969e+00 -1.541037969e+00 3.88 -1.502276080e+00 -1.502276080e+00 3.90 -1.464138440e+00 -1.464138440e+00 3.92 -1.426671292e+00 -1.426671292e+00 3.94 -1.389915028e+00 -1.389915028e+00 3.96 -1.353898602e+00 -1.353898602e+00 3.98 -1.318642192e+00 -1.318642192e+00 4.00 -1.284156412e+00 -1.284156412e+00 4.02 -1.250442909e+00 -1.250442909e+00 4.04 -1.217495382e+00 -1.217495382e+00 4.06 -1.185300861e+00 -1.185300861e+00 4.08 -1.153841074e+00 -1.153841074e+00 4.10 -1.123091541e+00 -1.123091541e+00 4.12 -1.093031977e+00 -1.093031977e+00 4.14 -1.063632730e+00 -1.063632730e+00 4.16 -1.034865775e+00 -1.034865775e+00 4.18 -1.006702662e+00 -1.006702662e+00 4.20 -9.791150492e-01 -9.791150492e-01 4.22 -9.520752130e-01 -9.520752130e-01 4.24 -9.255565411e-01 -9.255565411e-01 4.26 -8.995340738e-01 -8.995340738e-01 4.28 -8.739851027e-01 -8.739851027e-01 4.30 -8.488898300e-01 -8.488898300e-01 4.32 -8.242320703e-01 -8.242320703e-01 4.34 -7.999999504e-01 -7.999999504e-01 4.36 -7.761865442e-01 -7.761865442e-01 4.38 -7.527903592e-01 -7.527903592e-01 4.40 -7.298155825e-01 -7.298155825e-01 4.42 -7.072719976e-01 -7.072719976e-01 4.44 -6.851745048e-01 -6.851745048e-01 4.46 -6.635422165e-01 -6.635422165e-01 4.48 -6.423971541e-01 -6.423971541e-01 4.50 -6.217626359e-01 -6.217626359e-01 4.52 -6.016614968e-01 -6.016614968e-01 4.54 -5.821143220e-01 -5.821143220e-01 4.56 -5.631378751e-01 -5.631378751e-01 4.58 -5.447438803e-01 -5.447438803e-01 4.60 -5.269382588e-01 -5.269382588e-01 4.62 -5.097208546e-01 -5.097208546e-01 4.64 -4.930856163e-01 -4.930856163e-01 4.66 -4.770211527e-01 -4.770211527e-01 4.68 -4.615115464e-01 -4.615115464e-01 4.70 -4.465373099e-01 -4.465373099e-01 4.72 -4.320763752e-01 -4.320763752e-01 4.74 -4.181050384e-01 -4.181050384e-01 4.76 -4.045988031e-01 -4.045988031e-01 4.78 -3.915330985e-01 -3.915330985e-01 4.80 -3.788823539e-01 -3.788823539e-01 4.82 -3.666267435e-01 -3.666267435e-01 4.84 -3.547427192e-01 -3.547427192e-01 4.86 -3.432101175e-01 -3.432101175e-01 4.88 -3.320105527e-01 -3.320105527e-01 4.90 -3.211275405e-01 -3.211275405e-01 4.92 -3.105465621e-01 -3.105465621e-01 4.94 -3.002550688e-01 -3.002550688e-01 4.96 -2.902424240e-01 -2.902424240e-01 4.98 -2.804997809e-01 -2.804997809e-01 5.00 -2.710198961e-01 -2.710198961e-01 5.02 -2.617968880e-01 -2.617968880e-01 5.04 -2.528259537e-01 -2.528259537e-01 5.06 -2.441030695e-01 -2.441030695e-01 5.08 -2.356247009e-01 -2.356247009e-01 5.10 -2.273875503e-01 -2.273875503e-01 5.12 -2.193883642e-01 -2.193883642e-01 5.14 -2.116238102e-01 -2.116238102e-01 5.16 -2.040904250e-01 -2.040904250e-01 5.18 -1.967846186e-01 -1.967846186e-01 5.20 -1.897027144e-01 -1.897027144e-01 5.22 -1.828409988e-01 -1.828409988e-01 5.24 -1.761957564e-01 -1.761957564e-01 5.26 -1.697632727e-01 -1.697632727e-01 5.28 -1.635397945e-01 -1.635397945e-01 5.30 -1.575214477e-01 -1.575214477e-01 5.32 -1.517041226e-01 -1.517041226e-01 5.34 -1.460833410e-01 -1.460833410e-01 5.36 -1.406541244e-01 -1.406541244e-01 5.38 -1.354108808e-01 -1.354108808e-01 5.40 -1.303473272e-01 -1.303473272e-01 5.42 -1.254564588e-01 -1.254564588e-01 5.44 -1.207305660e-01 -1.207305660e-01 5.46 -1.161613041e-01 -1.161613041e-01 5.48 -1.117398092e-01 -1.117398092e-01 5.50 -1.074568505e-01 -1.074568505e-01 5.52 -1.033030108e-01 -1.033030108e-01 5.54 -9.926888454e-02 -9.926888454e-02 5.56 -9.534528364e-02 -9.534528364e-02 5.58 -9.152344476e-02 -9.152344476e-02 5.60 -8.779522693e-02 -8.779522693e-02 5.62 -8.415329414e-02 -8.415329414e-02 5.64 -8.059127759e-02 -8.059127759e-02 5.66 -7.710390896e-02 -7.710390896e-02 5.68 -7.368711787e-02 -7.368711787e-02 5.70 -7.033808656e-02 -7.033808656e-02 5.72 -6.705525523e-02 -6.705525523e-02 5.74 -6.383827386e-02 -6.383827386e-02 5.76 -6.068789908e-02 -6.068789908e-02 5.78 -5.760569701e-02 -5.760569701e-02 5.80 -5.459360999e-02 -5.459360999e-02 5.82 -5.165481588e-02 -5.165481588e-02 5.84 -4.879281783e-02 -4.879281783e-02 5.86 -4.601111833e-02 -4.601111833e-02 5.88 -4.331300879e-02 -4.331300879e-02 5.90 -4.070140256e-02 -4.070140256e-02 5.92 -3.817872237e-02 -3.817872237e-02 5.94 -3.574684570e-02 -3.574684570e-02 5.96 -3.340710486e-02 -3.340710486e-02 5.98 -3.116033108e-02 -3.116033108e-02 6.00 -2.900692983e-02 -2.900692983e-02