# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgCu2Pt # 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 2022-05-24 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 4.658575350e+02 4.658575350e+02 1.00 4.257891619e+02 4.257891619e+02 1.02 3.894502453e+02 3.894502453e+02 1.04 3.564685092e+02 3.564685092e+02 1.06 3.265038166e+02 3.265038166e+02 1.08 2.992628717e+02 2.992628717e+02 1.10 2.744815022e+02 2.744815022e+02 1.12 2.519187899e+02 2.519187899e+02 1.14 2.313562521e+02 2.313562521e+02 1.16 2.126020409e+02 2.126020409e+02 1.18 1.954870493e+02 1.954870493e+02 1.20 1.798547086e+02 1.798547086e+02 1.22 1.655619897e+02 1.655619897e+02 1.24 1.524883629e+02 1.524883629e+02 1.26 1.405184732e+02 1.405184732e+02 1.28 1.295501726e+02 1.295501726e+02 1.30 1.194884151e+02 1.194884151e+02 1.32 1.102498571e+02 1.102498571e+02 1.34 1.017619145e+02 1.017619145e+02 1.36 9.395588833e+01 9.395588833e+01 1.38 8.676896787e+01 8.676896787e+01 1.40 8.014770772e+01 8.014770772e+01 1.42 7.404185243e+01 7.404185243e+01 1.44 6.840492546e+01 6.840492546e+01 1.46 6.319559046e+01 6.319559046e+01 1.48 5.837868889e+01 5.837868889e+01 1.50 5.392187098e+01 5.392187098e+01 1.52 4.979460831e+01 4.979460831e+01 1.54 4.596831195e+01 4.596831195e+01 1.56 4.241915250e+01 4.241915250e+01 1.58 3.912495972e+01 3.912495972e+01 1.60 3.606599089e+01 3.606599089e+01 1.62 3.322369628e+01 3.322369628e+01 1.64 3.058099908e+01 3.058099908e+01 1.66 2.812203795e+01 2.812203795e+01 1.68 2.583298775e+01 2.583298775e+01 1.70 2.370180748e+01 2.370180748e+01 1.72 2.171679883e+01 2.171679883e+01 1.74 1.986741286e+01 1.986741286e+01 1.76 1.812844157e+01 1.812844157e+01 1.78 1.652104572e+01 1.652104572e+01 1.80 1.502519490e+01 1.502519490e+01 1.82 1.363350194e+01 1.363350194e+01 1.84 1.233896714e+01 1.233896714e+01 1.86 1.113506539e+01 1.113506539e+01 1.88 9.986403710e+00 9.986403710e+00 1.90 8.932057543e+00 8.932057543e+00 1.92 7.935871839e+00 7.935871839e+00 1.94 6.993824729e+00 6.993824729e+00 1.96 6.105563848e+00 6.105563848e+00 1.98 5.268124424e+00 5.268124424e+00 2.00 4.479960647e+00 4.479960647e+00 2.02 3.739564747e+00 3.739564747e+00 2.04 3.045149143e+00 3.045149143e+00 2.06 2.394835591e+00 2.394835591e+00 2.08 1.786866173e+00 1.786866173e+00 2.10 1.219851336e+00 1.219851336e+00 2.12 6.919300938e-01 6.919300938e-01 2.14 2.016554718e-01 2.016554718e-01 2.16 -2.528251099e-01 -2.528251099e-01 2.18 -6.728211065e-01 -6.728211065e-01 2.20 -1.059842909e+00 -1.059842909e+00 2.22 -1.415508986e+00 -1.415508986e+00 2.24 -1.741172277e+00 -1.741172277e+00 2.26 -2.038375638e+00 -2.038375638e+00 2.28 -2.308650683e+00 -2.308650683e+00 2.30 -2.552171374e+00 -2.552171374e+00 2.32 -2.771583896e+00 -2.771583896e+00 2.34 -2.968466022e+00 -2.968466022e+00 2.36 -3.144116893e+00 -3.144116893e+00 2.38 -3.299795648e+00 -3.299795648e+00 2.40 -3.436720007e+00 -3.436720007e+00 2.42 -3.556086895e+00 -3.556086895e+00 2.44 -3.659008058e+00 -3.659008058e+00 2.46 -3.746567775e+00 -3.746567775e+00 2.48 -3.819906264e+00 -3.819906264e+00 2.50 -3.880234734e+00 -3.880234734e+00 2.52 -3.927758714e+00 -3.927758714e+00 2.54 -3.963293706e+00 -3.963293706e+00 2.56 -3.988268962e+00 -3.988268962e+00 2.58 -4.003463787e+00 -4.003463787e+00 2.60 -4.011255327e+00 -4.011255327e+00 2.62 -4.011201435e+00 -4.011201435e+00 2.64 -4.003556984e+00 -4.003556984e+00 2.66 -3.989027560e+00 -3.989027560e+00 2.68 -3.968220387e+00 -3.968220387e+00 2.70 -3.941658246e+00 -3.941658246e+00 2.72 -3.909883116e+00 -3.909883116e+00 2.74 -3.873403146e+00 -3.873403146e+00 2.76 -3.832691671e+00 -3.832691671e+00 2.78 -3.788390720e+00 -3.788390720e+00 2.80 -3.740855186e+00 -3.740855186e+00 2.82 -3.690308410e+00 -3.690308410e+00 2.84 -3.637108985e+00 -3.637108985e+00 2.86 -3.581575032e+00 -3.581575032e+00 2.88 -3.522740898e+00 -3.522740898e+00 2.90 -3.461706170e+00 -3.461706170e+00 2.92 -3.398905713e+00 -3.398905713e+00 2.94 -3.335005151e+00 -3.335005151e+00 2.96 -3.270219671e+00 -3.270219671e+00 2.98 -3.204750359e+00 -3.204750359e+00 3.00 -3.138780625e+00 -3.138780625e+00 3.02 -3.072480602e+00 -3.072480602e+00 3.04 -3.006352660e+00 -3.006352660e+00 3.06 -2.940650372e+00 -2.940650372e+00 3.08 -2.874937840e+00 -2.874937840e+00 3.10 -2.809355840e+00 -2.809355840e+00 3.12 -2.744059566e+00 -2.744059566e+00 3.14 -2.679143631e+00 -2.679143631e+00 3.16 -2.614694686e+00 -2.614694686e+00 3.18 -2.550790896e+00 -2.550790896e+00 3.20 -2.487502337e+00 -2.487502337e+00 3.22 -2.424891650e+00 -2.424891650e+00 3.24 -2.363008081e+00 -2.363008081e+00 3.26 -2.302242364e+00 -2.302242364e+00 3.28 -2.242396982e+00 -2.242396982e+00 3.30 -2.183392174e+00 -2.183392174e+00 3.32 -2.125262249e+00 -2.125262249e+00 3.34 -2.068037183e+00 -2.068037183e+00 3.36 -2.011742961e+00 -2.011742961e+00 3.38 -1.956399424e+00 -1.956399424e+00 3.40 -1.902033636e+00 -1.902033636e+00 3.42 -1.848731692e+00 -1.848731692e+00 3.44 -1.796377617e+00 -1.796377617e+00 3.46 -1.744939570e+00 -1.744939570e+00 3.48 -1.694305598e+00 -1.694305598e+00 3.50 -1.644449611e+00 -1.644449611e+00 3.52 -1.595566715e+00 -1.595566715e+00 3.54 -1.547736881e+00 -1.547736881e+00 3.56 -1.500883329e+00 -1.500883329e+00 3.58 -1.454967110e+00 -1.454967110e+00 3.60 -1.410027777e+00 -1.410027777e+00 3.62 -1.366105699e+00 -1.366105699e+00 3.64 -1.323215843e+00 -1.323215843e+00 3.66 -1.281337512e+00 -1.281337512e+00 3.68 -1.240454161e+00 -1.240454161e+00 3.70 -1.200551114e+00 -1.200551114e+00 3.72 -1.161617367e+00 -1.161617367e+00 3.74 -1.123638270e+00 -1.123638270e+00 3.76 -1.086596987e+00 -1.086596987e+00 3.78 -1.050478255e+00 -1.050478255e+00 3.80 -1.015266700e+00 -1.015266700e+00 3.82 -9.809387607e-01 -9.809387607e-01 3.84 -9.474768996e-01 -9.474768996e-01 3.86 -9.148682164e-01 -9.148682164e-01 3.88 -8.831157854e-01 -8.831157854e-01 3.90 -8.522048091e-01 -8.522048091e-01 3.92 -8.220404227e-01 -8.220404227e-01 3.94 -7.925391478e-01 -7.925391478e-01 3.96 -7.637321907e-01 -7.637321907e-01 3.98 -7.357321915e-01 -7.357321915e-01 4.00 -7.086261200e-01 -7.086261200e-01 4.02 -6.824757657e-01 -6.824757657e-01 4.04 -6.573267983e-01 -6.573267983e-01 4.06 -6.332797661e-01 -6.332797661e-01 4.08 -6.103877951e-01 -6.103877951e-01 4.10 -5.884244913e-01 -5.884244913e-01 4.12 -5.670638747e-01 -5.670638747e-01 4.14 -5.460626500e-01 -5.460626500e-01 4.16 -5.252477210e-01 -5.252477210e-01 4.18 -5.045020520e-01 -5.045020520e-01 4.20 -4.837529164e-01 -4.837529164e-01 4.22 -4.629621488e-01 -4.629621488e-01 4.24 -4.421181132e-01 -4.421181132e-01 4.26 -4.212287780e-01 -4.212287780e-01 4.28 -4.002674191e-01 -4.002674191e-01 4.30 -3.800561425e-01 -3.800561425e-01 4.32 -3.602541075e-01 -3.602541075e-01 4.34 -3.406606571e-01 -3.406606571e-01 4.36 -3.214223176e-01 -3.214223176e-01 4.38 -3.026457819e-01 -3.026457819e-01 4.40 -2.844116145e-01 -2.844116145e-01 4.42 -2.667787781e-01 -2.667787781e-01 4.44 -2.497884477e-01 -2.497884477e-01 4.46 -2.334672267e-01 -2.334672267e-01 4.48 -2.178298672e-01 -2.178298672e-01 4.50 -2.028815413e-01 -2.028815413e-01 4.52 -1.886197548e-01 -1.886197548e-01 4.54 -1.750359450e-01 -1.750359450e-01 4.56 -1.621167042e-01 -1.621167042e-01 4.58 -1.498358776e-01 -1.498358776e-01 4.60 -1.384360672e-01 -1.384360672e-01 4.62 -1.278659666e-01 -1.278659666e-01 4.64 -1.178373568e-01 -1.178373568e-01 4.66 -1.083369810e-01 -1.083369810e-01 4.68 -9.934224562e-02 -9.934224562e-02 4.70 -9.083051201e-02 -9.083051201e-02 4.72 -8.277934857e-02 -8.277934857e-02 4.74 -7.516669964e-02 -7.516669964e-02 4.76 -6.797101926e-02 -6.797101926e-02 4.78 -6.117136634e-02 -6.117136634e-02 4.80 -5.474482903e-02 -5.474482903e-02 4.82 -4.875281932e-02 -4.875281932e-02 4.84 -4.312312983e-02 -4.312312983e-02 4.86 -3.780494081e-02 -3.780494081e-02 4.88 -3.278165551e-02 -3.278165551e-02 4.90 -2.803742699e-02 -2.803742699e-02 4.92 -2.355636822e-02 -2.355636822e-02 4.94 -1.923127365e-02 -1.923127365e-02 4.96 -1.648444662e-02 -1.648444662e-02 4.98 -1.519692201e-02 -1.519692201e-02 5.00 -1.389909490e-02 -1.389909490e-02 5.02 -1.267767840e-02 -1.267767840e-02 5.04 -1.152892202e-02 -1.152892202e-02 5.06 -1.044861532e-02 -1.044861532e-02 5.08 -9.432781003e-03 -9.432781003e-03 5.10 -8.477663697e-03 -8.477663697e-03 5.12 -7.579718995e-03 -7.579718995e-03 5.14 -6.735602676e-03 -6.735602676e-03 5.16 -5.942160246e-03 -5.942160246e-03 5.18 -5.196416918e-03 -5.196416918e-03 5.20 -4.495568014e-03 -4.495568014e-03 5.22 -3.836969800e-03 -3.836969800e-03 5.24 -3.218130539e-03 -3.218130539e-03 5.26 -2.636693271e-03 -2.636693271e-03 5.28 -2.091022553e-03 -2.091022553e-03 5.30 -1.591569999e-03 -1.591569999e-03 5.32 -1.401429739e-03 -1.401429739e-03 5.34 -1.232114162e-03 -1.232114162e-03 5.36 -1.075471479e-03 -1.075471479e-03 5.38 -9.286203826e-04 -9.286203826e-04 5.40 -7.909630708e-04 -7.909630708e-04 5.42 -6.619373449e-04 -6.619373449e-04 5.44 -5.410145292e-04 -5.410145292e-04 5.46 -4.276975221e-04 -4.276975221e-04 5.48 -3.215189642e-04 -3.215189642e-04 5.50 -2.220395112e-04 -2.220395112e-04 5.52 -1.288461827e-04 -1.288461827e-04 5.54 -4.099235156e-05 -4.099235156e-05 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00