# 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 = MgWZr2 # 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 4.812313281e+02 4.812313281e+02 1.30 4.467765472e+02 4.467765472e+02 1.32 4.148644332e+02 4.148644332e+02 1.34 3.852908654e+02 3.852908654e+02 1.36 3.578683576e+02 3.578683576e+02 1.38 3.324251693e+02 3.324251693e+02 1.40 3.088047062e+02 3.088047062e+02 1.42 2.868639595e+02 2.868639595e+02 1.44 2.664717315e+02 2.664717315e+02 1.46 2.475080064e+02 2.475080064e+02 1.48 2.298641102e+02 2.298641102e+02 1.50 2.134421547e+02 2.134421547e+02 1.52 1.981535499e+02 1.981535499e+02 1.54 1.839174991e+02 1.839174991e+02 1.56 1.706602000e+02 1.706602000e+02 1.58 1.583146464e+02 1.583146464e+02 1.60 1.468200922e+02 1.468200922e+02 1.62 1.361208068e+02 1.361208068e+02 1.64 1.261645524e+02 1.261645524e+02 1.66 1.169014717e+02 1.169014717e+02 1.68 1.082836482e+02 1.082836482e+02 1.70 1.002653468e+02 1.002653468e+02 1.72 9.280340354e+01 9.280340354e+01 1.74 8.585755347e+01 8.585755347e+01 1.76 7.939050821e+01 7.939050821e+01 1.78 7.336788244e+01 7.336788244e+01 1.80 6.775794455e+01 6.775794455e+01 1.82 6.253136571e+01 6.253136571e+01 1.84 5.766085228e+01 5.766085228e+01 1.86 5.312105955e+01 5.312105955e+01 1.88 4.888865092e+01 4.888865092e+01 1.90 4.494242131e+01 4.494242131e+01 1.92 4.126321888e+01 4.126321888e+01 1.94 3.783369407e+01 3.783369407e+01 1.96 3.463788592e+01 3.463788592e+01 1.98 3.166183366e+01 3.166183366e+01 2.00 2.889225893e+01 2.889225893e+01 2.02 2.631580562e+01 2.631580562e+01 2.04 2.391968415e+01 2.391968415e+01 2.06 2.169161005e+01 2.169161005e+01 2.08 1.961987789e+01 1.961987789e+01 2.10 1.769322264e+01 1.769322264e+01 2.12 1.590089297e+01 1.590089297e+01 2.14 1.423277621e+01 1.423277621e+01 2.16 1.267956451e+01 1.267956451e+01 2.18 1.123284480e+01 1.123284480e+01 2.20 9.885100702e+00 9.885100702e+00 2.22 8.629603096e+00 8.629603096e+00 2.24 7.460281961e+00 7.460281961e+00 2.26 6.371618879e+00 6.371618879e+00 2.28 5.358559591e+00 5.358559591e+00 2.30 4.416493222e+00 4.416493222e+00 2.32 3.541156558e+00 3.541156558e+00 2.34 2.728633657e+00 2.728633657e+00 2.36 1.975257436e+00 1.975257436e+00 2.38 1.277562674e+00 1.277562674e+00 2.40 6.322380945e-01 6.322380945e-01 2.42 3.608246661e-02 3.608246661e-02 2.44 -5.140122732e-01 -5.140122732e-01 2.46 -1.021077569e+00 -1.021077569e+00 2.48 -1.488058803e+00 -1.488058803e+00 2.50 -1.917791594e+00 -1.917791594e+00 2.52 -2.312967603e+00 -2.312967603e+00 2.54 -2.676097921e+00 -2.676097921e+00 2.56 -3.009483393e+00 -3.009483393e+00 2.58 -3.315200902e+00 -3.315200902e+00 2.60 -3.595110731e+00 -3.595110731e+00 2.62 -3.850877956e+00 -3.850877956e+00 2.64 -4.084029999e+00 -4.084029999e+00 2.66 -4.295959383e+00 -4.295959383e+00 2.68 -4.487978260e+00 -4.487978260e+00 2.70 -4.661331708e+00 -4.661331708e+00 2.72 -4.817196193e+00 -4.817196193e+00 2.74 -4.956653322e+00 -4.956653322e+00 2.76 -5.080822544e+00 -5.080822544e+00 2.78 -5.190768814e+00 -5.190768814e+00 2.80 -5.287593576e+00 -5.287593576e+00 2.82 -5.372202492e+00 -5.372202492e+00 2.84 -5.445332889e+00 -5.445332889e+00 2.86 -5.507683431e+00 -5.507683431e+00 2.88 -5.559915721e+00 -5.559915721e+00 2.90 -5.602657287e+00 -5.602657287e+00 2.92 -5.636485115e+00 -5.636485115e+00 2.94 -5.661829017e+00 -5.661829017e+00 2.96 -5.679045854e+00 -5.679045854e+00 2.98 -5.688289609e+00 -5.688289609e+00 3.00 -5.689646633e+00 -5.689646633e+00 3.02 -5.683250269e+00 -5.683250269e+00 3.04 -5.669264710e+00 -5.669264710e+00 3.06 -5.647889766e+00 -5.647889766e+00 3.08 -5.619328838e+00 -5.619328838e+00 3.10 -5.583802826e+00 -5.583802826e+00 3.12 -5.541540043e+00 -5.541540043e+00 3.14 -5.492796254e+00 -5.492796254e+00 3.16 -5.437826395e+00 -5.437826395e+00 3.18 -5.376908142e+00 -5.376908142e+00 3.20 -5.310337650e+00 -5.310337650e+00 3.22 -5.238431180e+00 -5.238431180e+00 3.24 -5.161527159e+00 -5.161527159e+00 3.26 -5.079988668e+00 -5.079988668e+00 3.28 -4.994205413e+00 -4.994205413e+00 3.30 -4.904593670e+00 -4.904593670e+00 3.32 -4.811592958e+00 -4.811592958e+00 3.34 -4.715659418e+00 -4.715659418e+00 3.36 -4.617257373e+00 -4.617257373e+00 3.38 -4.516851405e+00 -4.516851405e+00 3.40 -4.414899221e+00 -4.414899221e+00 3.42 -4.311856348e+00 -4.311856348e+00 3.44 -4.208164501e+00 -4.208164501e+00 3.46 -4.104259308e+00 -4.104259308e+00 3.48 -4.000566182e+00 -4.000566182e+00 3.50 -3.897495585e+00 -3.897495585e+00 3.52 -3.795435659e+00 -3.795435659e+00 3.54 -3.694743223e+00 -3.694743223e+00 3.56 -3.595734627e+00 -3.595734627e+00 3.58 -3.498677947e+00 -3.498677947e+00 3.60 -3.403787668e+00 -3.403787668e+00 3.62 -3.311222493e+00 -3.311222493e+00 3.64 -3.221086421e+00 -3.221086421e+00 3.66 -3.133432777e+00 -3.133432777e+00 3.68 -3.048270649e+00 -3.048270649e+00 3.70 -2.965573039e+00 -2.965573039e+00 3.72 -2.885286025e+00 -2.885286025e+00 3.74 -2.807338276e+00 -2.807338276e+00 3.76 -2.731653264e+00 -2.731653264e+00 3.78 -2.658162768e+00 -2.658162768e+00 3.80 -2.586787258e+00 -2.586787258e+00 3.82 -2.517459017e+00 -2.517459017e+00 3.84 -2.450127037e+00 -2.450127037e+00 3.86 -2.384756684e+00 -2.384756684e+00 3.88 -2.321326658e+00 -2.321326658e+00 3.90 -2.259823765e+00 -2.259823765e+00 3.92 -2.200232739e+00 -2.200232739e+00 3.94 -2.142545405e+00 -2.142545405e+00 3.96 -2.086730751e+00 -2.086730751e+00 3.98 -2.032745349e+00 -2.032745349e+00 4.00 -1.980520694e+00 -1.980520694e+00 4.02 -1.929976374e+00 -1.929976374e+00 4.04 -1.881025246e+00 -1.881025246e+00 4.06 -1.833576753e+00 -1.833576753e+00 4.08 -1.787540350e+00 -1.787540350e+00 4.10 -1.742820651e+00 -1.742820651e+00 4.12 -1.699352505e+00 -1.699352505e+00 4.14 -1.657050804e+00 -1.657050804e+00 4.16 -1.615847631e+00 -1.615847631e+00 4.18 -1.575682791e+00 -1.575682791e+00 4.20 -1.536503563e+00 -1.536503563e+00 4.22 -1.498264154e+00 -1.498264154e+00 4.24 -1.460924994e+00 -1.460924994e+00 4.26 -1.424451938e+00 -1.424451938e+00 4.28 -1.388815475e+00 -1.388815475e+00 4.30 -1.353989963e+00 -1.353989963e+00 4.32 -1.319952933e+00 -1.319952933e+00 4.34 -1.286684472e+00 -1.286684472e+00 4.36 -1.254166696e+00 -1.254166696e+00 4.38 -1.222383297e+00 -1.222383297e+00 4.40 -1.191319175e+00 -1.191319175e+00 4.42 -1.160960131e+00 -1.160960131e+00 4.44 -1.131292630e+00 -1.131292630e+00 4.46 -1.102303601e+00 -1.102303601e+00 4.48 -1.073980291e+00 -1.073980291e+00 4.50 -1.046310146e+00 -1.046310146e+00 4.52 -1.019280727e+00 -1.019280727e+00 4.54 -9.928796429e-01 -9.928796429e-01 4.56 -9.670945135e-01 -9.670945135e-01 4.58 -9.419129434e-01 -9.419129434e-01 4.60 -9.173225150e-01 -9.173225150e-01 4.62 -8.933107952e-01 -8.933107952e-01 4.64 -8.698653540e-01 -8.698653540e-01 4.66 -8.469737935e-01 -8.469737935e-01 4.68 -8.246237836e-01 -8.246237836e-01 4.70 -8.028031024e-01 -8.028031024e-01 4.72 -7.814996782e-01 -7.814996782e-01 4.74 -7.607016276e-01 -7.607016276e-01 4.76 -7.403972881e-01 -7.403972881e-01 4.78 -7.205752404e-01 -7.205752404e-01 4.80 -7.012180148e-01 -7.012180148e-01 4.82 -6.823283784e-01 -6.823283784e-01 4.84 -6.638880954e-01 -6.638880954e-01 4.86 -6.458867302e-01 -6.458867302e-01 4.88 -6.283140100e-01 -6.283140100e-01 4.90 -6.111597791e-01 -6.111597791e-01 4.92 -5.944139477e-01 -5.944139477e-01 4.94 -5.780664402e-01 -5.780664402e-01 4.96 -5.621071441e-01 -5.621071441e-01 4.98 -5.465258634e-01 -5.465258634e-01 5.00 -5.313122800e-01 -5.313122800e-01 5.02 -5.164559228e-01 -5.164559228e-01 5.04 -5.019461490e-01 -5.019461490e-01 5.06 -4.877721376e-01 -4.877721376e-01 5.08 -4.739228974e-01 -4.739228974e-01 5.10 -4.603872921e-01 -4.603872921e-01 5.12 -4.471540840e-01 -4.471540840e-01 5.14 -4.342119993e-01 -4.342119993e-01 5.16 -4.215498171e-01 -4.215498171e-01 5.18 -4.091564867e-01 -4.091564867e-01 5.20 -3.970212725e-01 -3.970212725e-01 5.22 -3.851339312e-01 -3.851339312e-01 5.24 -3.734849184e-01 -3.734849184e-01 5.26 -3.620656231e-01 -3.620656231e-01 5.28 -3.508686232e-01 -3.508686232e-01 5.30 -3.398879507e-01 -3.398879507e-01 5.32 -3.291193506e-01 -3.291193506e-01 5.34 -3.185605118e-01 -3.185605118e-01 5.36 -3.082112435e-01 -3.082112435e-01 5.38 -2.980735688e-01 -2.980735688e-01 5.40 -2.881517068e-01 -2.881517068e-01 5.42 -2.784519189e-01 -2.784519189e-01 5.44 -2.689822071e-01 -2.689822071e-01 5.46 -2.597518638e-01 -2.597518638e-01 5.48 -2.507708918e-01 -2.507708918e-01 5.50 -2.420493310e-01 -2.420493310e-01 5.52 -2.335965439e-01 -2.335965439e-01 5.54 -2.254205200e-01 -2.254205200e-01 5.56 -2.175272613e-01 -2.175272613e-01 5.58 -2.099203006e-01 -2.099203006e-01 5.60 -2.026003904e-01 -2.026003904e-01 5.62 -1.955653780e-01 -1.955653780e-01 5.64 -1.888102595e-01 -1.888102595e-01 5.66 -1.823273894e-01 -1.823273894e-01 5.68 -1.761068077e-01 -1.761068077e-01 5.70 -1.701366432e-01 -1.701366432e-01 5.72 -1.644034362e-01 -1.644034362e-01 5.74 -1.588927082e-01 -1.588927082e-01 5.76 -1.535895243e-01 -1.535895243e-01 5.78 -1.484786187e-01 -1.484786187e-01 5.80 -1.435446930e-01 -1.435446930e-01 5.82 -1.387726525e-01 -1.387726525e-01 5.84 -1.341477831e-01 -1.341477831e-01 5.86 -1.296558770e-01 -1.296558770e-01 5.88 -1.252833168e-01 -1.252833168e-01 5.90 -1.210171310e-01 -1.210171310e-01 5.92 -1.168450290e-01 -1.168450290e-01 5.94 -1.127554276e-01 -1.127554276e-01 5.96 -1.087374767e-01 -1.087374767e-01 5.98 -1.047810910e-01 -1.047810910e-01 6.00 -1.008769955e-01 -1.008769955e-01