# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Nb2WZr # 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 2025-12-17 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 4.605629136e+02 4.605629136e+02 1.08 4.127266275e+02 4.127266275e+02 1.10 3.702045122e+02 3.702045122e+02 1.12 3.333541196e+02 3.333541196e+02 1.14 3.002330536e+02 3.002330536e+02 1.16 2.715246620e+02 2.715246620e+02 1.18 2.463189518e+02 2.463189518e+02 1.20 2.228714116e+02 2.228714116e+02 1.22 2.024471094e+02 2.024471094e+02 1.24 1.849932202e+02 1.849932202e+02 1.26 1.692801171e+02 1.692801171e+02 1.28 1.555306380e+02 1.555306380e+02 1.30 1.433675164e+02 1.433675164e+02 1.32 1.320340860e+02 1.320340860e+02 1.34 1.215688598e+02 1.215688598e+02 1.36 1.121433546e+02 1.121433546e+02 1.38 1.041981219e+02 1.041981219e+02 1.40 9.691587804e+01 9.691587804e+01 1.42 8.971775860e+01 8.971775860e+01 1.44 8.292987845e+01 8.292987845e+01 1.46 7.659788939e+01 7.659788939e+01 1.48 7.125418024e+01 7.125418024e+01 1.50 6.643623941e+01 6.643623941e+01 1.52 6.177486059e+01 6.177486059e+01 1.54 5.754226480e+01 5.754226480e+01 1.56 5.351287784e+01 5.351287784e+01 1.58 4.964959521e+01 4.964959521e+01 1.60 4.612072556e+01 4.612072556e+01 1.62 4.299996298e+01 4.299996298e+01 1.64 3.997800556e+01 3.997800556e+01 1.66 3.699810252e+01 3.699810252e+01 1.68 3.424858775e+01 3.424858775e+01 1.70 3.177406503e+01 3.177406503e+01 1.72 2.953165280e+01 2.953165280e+01 1.74 2.745256197e+01 2.745256197e+01 1.76 2.552266224e+01 2.552266224e+01 1.78 2.389003895e+01 2.389003895e+01 1.80 2.259861456e+01 2.259861456e+01 1.82 2.122196231e+01 2.122196231e+01 1.84 1.980010388e+01 1.980010388e+01 1.86 1.840160103e+01 1.840160103e+01 1.88 1.704592503e+01 1.704592503e+01 1.90 1.574222794e+01 1.574222794e+01 1.92 1.445819783e+01 1.445819783e+01 1.94 1.316243623e+01 1.316243623e+01 1.96 1.186627517e+01 1.186627517e+01 1.98 1.063168960e+01 1.063168960e+01 2.00 9.534180349e+00 9.534180349e+00 2.02 8.643170241e+00 8.643170241e+00 2.04 7.967445412e+00 7.967445412e+00 2.06 7.303760502e+00 7.303760502e+00 2.08 6.438406158e+00 6.438406158e+00 2.10 5.556642011e+00 5.556642011e+00 2.12 4.707640065e+00 4.707640065e+00 2.14 3.920834431e+00 3.920834431e+00 2.16 3.201900586e+00 3.201900586e+00 2.18 2.527920736e+00 2.527920736e+00 2.20 1.840823230e+00 1.840823230e+00 2.22 1.111741565e+00 1.111741565e+00 2.24 4.524094880e-01 4.524094880e-01 2.26 -1.124966941e-01 -1.124966941e-01 2.28 -5.951051823e-01 -5.951051823e-01 2.30 -1.034138764e+00 -1.034138764e+00 2.32 -1.543890029e+00 -1.543890029e+00 2.34 -2.176925627e+00 -2.176925627e+00 2.36 -2.870983582e+00 -2.870983582e+00 2.38 -3.500861959e+00 -3.500861959e+00 2.40 -4.002068625e+00 -4.002068625e+00 2.42 -4.328433850e+00 -4.328433850e+00 2.44 -4.523201058e+00 -4.523201058e+00 2.46 -4.711330493e+00 -4.711330493e+00 2.48 -4.972090997e+00 -4.972090997e+00 2.50 -5.230802355e+00 -5.230802355e+00 2.52 -5.501003926e+00 -5.501003926e+00 2.54 -5.779069381e+00 -5.779069381e+00 2.56 -6.059303893e+00 -6.059303893e+00 2.58 -6.311499658e+00 -6.311499658e+00 2.60 -6.547924321e+00 -6.547924321e+00 2.62 -6.757926584e+00 -6.757926584e+00 2.64 -6.937859197e+00 -6.937859197e+00 2.66 -7.080131957e+00 -7.080131957e+00 2.68 -7.185127158e+00 -7.185127158e+00 2.70 -7.259525156e+00 -7.259525156e+00 2.72 -7.315780375e+00 -7.315780375e+00 2.74 -7.367363903e+00 -7.367363903e+00 2.76 -7.421180263e+00 -7.421180263e+00 2.78 -7.473205002e+00 -7.473205002e+00 2.80 -7.518644552e+00 -7.518644552e+00 2.82 -7.550503252e+00 -7.550503252e+00 2.84 -7.567164724e+00 -7.567164724e+00 2.86 -7.574947662e+00 -7.574947662e+00 2.88 -7.577297856e+00 -7.577297856e+00 2.90 -7.574234690e+00 -7.574234690e+00 2.92 -7.564606885e+00 -7.564606885e+00 2.94 -7.544617537e+00 -7.544617537e+00 2.96 -7.513888357e+00 -7.513888357e+00 2.98 -7.468678571e+00 -7.468678571e+00 3.00 -7.427792136e+00 -7.427792136e+00 3.02 -7.395268514e+00 -7.395268514e+00 3.04 -7.378844380e+00 -7.378844380e+00 3.06 -7.376001162e+00 -7.376001162e+00 3.08 -7.375241453e+00 -7.375241453e+00 3.10 -7.365122334e+00 -7.365122334e+00 3.12 -7.330048385e+00 -7.330048385e+00 3.14 -7.260943284e+00 -7.260943284e+00 3.16 -7.153119636e+00 -7.153119636e+00 3.18 -7.003190352e+00 -7.003190352e+00 3.20 -6.828947419e+00 -6.828947419e+00 3.22 -6.678510941e+00 -6.678510941e+00 3.24 -6.597429901e+00 -6.597429901e+00 3.26 -6.555935910e+00 -6.555935910e+00 3.28 -6.510433344e+00 -6.510433344e+00 3.30 -6.458870399e+00 -6.458870399e+00 3.32 -6.395727689e+00 -6.395727689e+00 3.34 -6.320217991e+00 -6.320217991e+00 3.36 -6.241934703e+00 -6.241934703e+00 3.38 -6.163891943e+00 -6.163891943e+00 3.40 -6.074518243e+00 -6.074518243e+00 3.42 -5.961414252e+00 -5.961414252e+00 3.44 -5.843669805e+00 -5.843669805e+00 3.46 -5.737203791e+00 -5.737203791e+00 3.48 -5.637542131e+00 -5.637542131e+00 3.50 -5.542783253e+00 -5.542783253e+00 3.52 -5.444852913e+00 -5.444852913e+00 3.54 -5.348737203e+00 -5.348737203e+00 3.56 -5.260054677e+00 -5.260054677e+00 3.58 -5.181091454e+00 -5.181091454e+00 3.60 -5.112821140e+00 -5.112821140e+00 3.62 -5.051315089e+00 -5.051315089e+00 3.64 -4.989789680e+00 -4.989789680e+00 3.66 -4.927502633e+00 -4.927502633e+00 3.68 -4.866566283e+00 -4.866566283e+00 3.70 -4.807532089e+00 -4.807532089e+00 3.72 -4.750949161e+00 -4.750949161e+00 3.74 -4.695757495e+00 -4.695757495e+00 3.76 -4.636876993e+00 -4.636876993e+00 3.78 -4.568341005e+00 -4.568341005e+00 3.80 -4.484069108e+00 -4.484069108e+00 3.82 -4.377090875e+00 -4.377090875e+00 3.84 -4.244502829e+00 -4.244502829e+00 3.86 -4.087784213e+00 -4.087784213e+00 3.88 -3.911703323e+00 -3.911703323e+00 3.90 -3.723188148e+00 -3.723188148e+00 3.92 -3.533586930e+00 -3.533586930e+00 3.94 -3.361070477e+00 -3.361070477e+00 3.96 -3.211002734e+00 -3.211002734e+00 3.98 -3.072556365e+00 -3.072556365e+00 4.00 -2.936875252e+00 -2.936875252e+00 4.02 -2.807223393e+00 -2.807223393e+00 4.04 -2.688464671e+00 -2.688464671e+00 4.06 -2.584859903e+00 -2.584859903e+00 4.08 -2.497402315e+00 -2.497402315e+00 4.10 -2.424563011e+00 -2.424563011e+00 4.12 -2.365152728e+00 -2.365152728e+00 4.14 -2.317988503e+00 -2.317988503e+00 4.16 -2.280690112e+00 -2.280690112e+00 4.18 -2.250367157e+00 -2.250367157e+00 4.20 -2.224788426e+00 -2.224788426e+00 4.22 -2.203673504e+00 -2.203673504e+00 4.24 -2.186966459e+00 -2.186966459e+00 4.26 -2.174286947e+00 -2.174286947e+00 4.28 -2.165092165e+00 -2.165092165e+00 4.30 -2.158654121e+00 -2.158654121e+00 4.32 -2.154074897e+00 -2.154074897e+00 4.34 -2.150551768e+00 -2.150551768e+00 4.36 -2.147914613e+00 -2.147914613e+00 4.38 -2.146017195e+00 -2.146017195e+00 4.40 -2.144695182e+00 -2.144695182e+00 4.42 -2.143765174e+00 -2.143765174e+00 4.44 -2.143028566e+00 -2.143028566e+00 4.46 -2.142165462e+00 -2.142165462e+00 4.48 -2.140933003e+00 -2.140933003e+00 4.50 -2.139514978e+00 -2.139514978e+00 4.52 -2.138151493e+00 -2.138151493e+00 4.54 -2.137080038e+00 -2.137080038e+00 4.56 -2.136536930e+00 -2.136536930e+00 4.58 -2.136685407e+00 -2.136685407e+00 4.60 -2.137425272e+00 -2.137425272e+00 4.62 -2.137980497e+00 -2.137980497e+00 4.64 -2.136959908e+00 -2.136959908e+00 4.66 -2.132946276e+00 -2.132946276e+00 4.68 -2.124535112e+00 -2.124535112e+00 4.70 -2.110479551e+00 -2.110479551e+00 4.72 -2.089668393e+00 -2.089668393e+00 4.74 -2.061266898e+00 -2.061266898e+00 4.76 -2.026371505e+00 -2.026371505e+00 4.78 -1.986924314e+00 -1.986924314e+00 4.80 -1.944888258e+00 -1.944888258e+00 4.82 -1.902155206e+00 -1.902155206e+00 4.84 -1.860688071e+00 -1.860688071e+00 4.86 -1.822597822e+00 -1.822597822e+00 4.88 -1.789326527e+00 -1.789326527e+00 4.90 -1.759994554e+00 -1.759994554e+00 4.92 -1.733373265e+00 -1.733373265e+00 4.94 -1.708997813e+00 -1.708997813e+00 4.96 -1.686519002e+00 -1.686519002e+00 4.98 -1.665476749e+00 -1.665476749e+00 5.00 -1.645335017e+00 -1.645335017e+00 5.02 -1.626150581e+00 -1.626150581e+00 5.04 -1.608421706e+00 -1.608421706e+00 5.06 -1.591128154e+00 -1.591128154e+00 5.08 -1.573472139e+00 -1.573472139e+00 5.10 -1.554678238e+00 -1.554678238e+00 5.12 -1.533745758e+00 -1.533745758e+00 5.14 -1.509434655e+00 -1.509434655e+00 5.16 -1.481251661e+00 -1.481251661e+00 5.18 -1.450527143e+00 -1.450527143e+00 5.20 -1.418934459e+00 -1.418934459e+00 5.22 -1.388163507e+00 -1.388163507e+00 5.24 -1.359838673e+00 -1.359838673e+00 5.26 -1.335452178e+00 -1.335452178e+00 5.28 -1.315892402e+00 -1.315892402e+00 5.30 -1.300667283e+00 -1.300667283e+00 5.32 -1.288780284e+00 -1.288780284e+00 5.34 -1.279313675e+00 -1.279313675e+00 5.36 -1.271542204e+00 -1.271542204e+00 5.38 -1.264275644e+00 -1.264275644e+00 5.40 -1.254811319e+00 -1.254811319e+00 5.42 -1.242500293e+00 -1.242500293e+00 5.44 -1.227493956e+00 -1.227493956e+00 5.46 -1.210027963e+00 -1.210027963e+00 5.48 -1.190395482e+00 -1.190395482e+00 5.50 -1.169006549e+00 -1.169006549e+00 5.52 -1.146433114e+00 -1.146433114e+00 5.54 -1.123382501e+00 -1.123382501e+00 5.56 -1.099849818e+00 -1.099849818e+00 5.58 -1.074957581e+00 -1.074957581e+00 5.60 -1.047466896e+00 -1.047466896e+00 5.62 -1.015727627e+00 -1.015727627e+00 5.64 -9.775646061e-01 -9.775646061e-01 5.66 -9.300640244e-01 -9.300640244e-01 5.68 -8.705443144e-01 -8.705443144e-01 5.70 -8.016857871e-01 -8.016857871e-01 5.72 -7.299626669e-01 -7.299626669e-01 5.74 -6.609362090e-01 -6.609362090e-01 5.76 -6.017540285e-01 -6.017540285e-01 5.78 -5.606884488e-01 -5.606884488e-01 5.80 -5.462156888e-01 -5.462156888e-01 5.82 -5.618525169e-01 -5.618525169e-01 5.84 -5.990045315e-01 -5.990045315e-01 5.86 -6.471424084e-01 -6.471424084e-01 5.88 -6.966119715e-01 -6.966119715e-01 5.90 -7.389712202e-01 -7.389712202e-01 5.92 -7.666827435e-01 -7.666827435e-01 5.94 -7.723512141e-01 -7.723512141e-01 5.96 -7.529426706e-01 -7.529426706e-01 5.98 -7.105322880e-01 -7.105322880e-01 6.00 -6.473501923e-01 -6.473501923e-01