# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr2 # composition = Cr2CuFe # 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 nan nan 1.00 nan nan 1.02 -4.789162793e+02 -4.789162793e+02 1.04 -4.514976111e+02 -4.514976111e+02 1.06 -4.257426577e+02 -4.257426577e+02 1.08 -4.018133465e+02 -4.018133465e+02 1.10 -3.794094656e+02 -3.794094656e+02 1.12 -3.580634343e+02 -3.580634343e+02 1.14 -3.375822423e+02 -3.375822423e+02 1.16 -3.178537469e+02 -3.178537469e+02 1.18 -2.990814115e+02 -2.990814115e+02 1.20 -2.816923432e+02 -2.816923432e+02 1.22 -2.657689926e+02 -2.657689926e+02 1.24 -2.510611482e+02 -2.510611482e+02 1.26 -2.373937982e+02 -2.373937982e+02 1.28 -2.247430487e+02 -2.247430487e+02 1.30 -2.129510239e+02 -2.129510239e+02 1.32 -2.017427079e+02 -2.017427079e+02 1.34 -1.909308052e+02 -1.909308052e+02 1.36 -1.805500482e+02 -1.805500482e+02 1.38 -1.707118083e+02 -1.707118083e+02 1.40 -1.613880907e+02 -1.613880907e+02 1.42 -1.523643774e+02 -1.523643774e+02 1.44 -1.434292838e+02 -1.434292838e+02 1.46 -1.345026165e+02 -1.345026165e+02 1.48 -1.256289144e+02 -1.256289144e+02 1.50 -1.168976839e+02 -1.168976839e+02 1.52 -1.083764176e+02 -1.083764176e+02 1.54 -1.000661017e+02 -1.000661017e+02 1.56 -9.189321236e+01 -9.189321236e+01 1.58 -8.374554327e+01 -8.374554327e+01 1.60 -7.556200029e+01 -7.556200029e+01 1.62 -6.741378210e+01 -6.741378210e+01 1.64 -5.948380586e+01 -5.948380586e+01 1.66 -5.196296786e+01 -5.196296786e+01 1.68 -4.495200415e+01 -4.495200415e+01 1.70 -3.845999640e+01 -3.845999640e+01 1.72 -3.248256751e+01 -3.248256751e+01 1.74 -2.701901253e+01 -2.701901253e+01 1.76 -2.206250903e+01 -2.206250903e+01 1.78 -1.757222967e+01 -1.757222967e+01 1.80 -1.352132631e+01 -1.352132631e+01 1.82 -1.005566260e+01 -1.005566260e+01 1.84 -7.242375283e+00 -7.242375283e+00 1.86 -5.166436567e+00 -5.166436567e+00 1.88 -3.722482258e+00 -3.722482258e+00 1.90 -2.755515266e+00 -2.755515266e+00 1.92 -2.130870922e+00 -2.130870922e+00 1.94 -1.750766173e+00 -1.750766173e+00 1.96 -1.555338844e+00 -1.555338844e+00 1.98 -1.505013952e+00 -1.505013952e+00 2.00 -1.567728538e+00 -1.567728538e+00 2.02 -1.713634902e+00 -1.713634902e+00 2.04 -1.916192607e+00 -1.916192607e+00 2.06 -2.151671488e+00 -2.151671488e+00 2.08 -2.398251254e+00 -2.398251254e+00 2.10 -2.637382295e+00 -2.637382295e+00 2.12 -2.856902873e+00 -2.856902873e+00 2.14 -3.050916924e+00 -3.050916924e+00 2.16 -3.219151216e+00 -3.219151216e+00 2.18 -3.363391176e+00 -3.363391176e+00 2.20 -3.483970408e+00 -3.483970408e+00 2.22 -3.581298767e+00 -3.581298767e+00 2.24 -3.658131633e+00 -3.658131633e+00 2.26 -3.719367014e+00 -3.719367014e+00 2.28 -3.771335002e+00 -3.771335002e+00 2.30 -3.817729632e+00 -3.817729632e+00 2.32 -3.861108460e+00 -3.861108460e+00 2.34 -3.900576589e+00 -3.900576589e+00 2.36 -3.934200785e+00 -3.934200785e+00 2.38 -3.960707230e+00 -3.960707230e+00 2.40 -3.979302322e+00 -3.979302322e+00 2.42 -3.989810191e+00 -3.989810191e+00 2.44 -3.992528803e+00 -3.992528803e+00 2.46 -3.987551814e+00 -3.987551814e+00 2.48 -3.975917540e+00 -3.975917540e+00 2.50 -3.959364492e+00 -3.959364492e+00 2.52 -3.938852577e+00 -3.938852577e+00 2.54 -3.914672907e+00 -3.914672907e+00 2.56 -3.887051659e+00 -3.887051659e+00 2.58 -3.856366192e+00 -3.856366192e+00 2.60 -3.823128315e+00 -3.823128315e+00 2.62 -3.787818398e+00 -3.787818398e+00 2.64 -3.750808257e+00 -3.750808257e+00 2.66 -3.712353675e+00 -3.712353675e+00 2.68 -3.672451020e+00 -3.672451020e+00 2.70 -3.630966060e+00 -3.630966060e+00 2.72 -3.587784613e+00 -3.587784613e+00 2.74 -3.542857039e+00 -3.542857039e+00 2.76 -3.496199408e+00 -3.496199408e+00 2.78 -3.447903291e+00 -3.447903291e+00 2.80 -3.398030308e+00 -3.398030308e+00 2.82 -3.346567292e+00 -3.346567292e+00 2.84 -3.293472443e+00 -3.293472443e+00 2.86 -3.238843811e+00 -3.238843811e+00 2.88 -3.183041585e+00 -3.183041585e+00 2.90 -3.126570027e+00 -3.126570027e+00 2.92 -3.069553719e+00 -3.069553719e+00 2.94 -3.011918724e+00 -3.011918724e+00 2.96 -2.953628549e+00 -2.953628549e+00 2.98 -2.894698943e+00 -2.894698943e+00 3.00 -2.835209245e+00 -2.835209245e+00 3.02 -2.775241220e+00 -2.775241220e+00 3.04 -2.713647607e+00 -2.713647607e+00 3.06 -2.648540801e+00 -2.648540801e+00 3.08 -2.578343898e+00 -2.578343898e+00 3.10 -2.501486373e+00 -2.501486373e+00 3.12 -2.416494125e+00 -2.416494125e+00 3.14 -2.322156846e+00 -2.322156846e+00 3.16 -2.217340544e+00 -2.217340544e+00 3.18 -2.100841495e+00 -2.100841495e+00 3.20 -1.971256836e+00 -1.971256836e+00 3.22 -1.827119268e+00 -1.827119268e+00 3.24 -1.667305912e+00 -1.667305912e+00 3.26 -1.491793462e+00 -1.491793462e+00 3.28 -1.305435237e+00 -1.305435237e+00 3.30 -1.115370056e+00 -1.115370056e+00 3.32 -9.277879202e-01 -9.277879202e-01 3.34 -7.473138667e-01 -7.473138667e-01 3.36 -5.769609446e-01 -5.769609446e-01 3.38 -4.182162128e-01 -4.182162128e-01 3.40 -2.712141854e-01 -2.712141854e-01 3.42 -1.353225924e-01 -1.353225924e-01 3.44 -9.702442559e-03 -9.702442559e-03 3.46 1.063267902e-01 1.063267902e-01 3.48 2.131340804e-01 2.131340804e-01 3.50 3.107831007e-01 3.107831007e-01 3.52 3.991277028e-01 3.991277028e-01 3.54 4.779365101e-01 4.779365101e-01 3.56 5.470051634e-01 5.470051634e-01 3.58 6.062139599e-01 6.062139599e-01 3.60 6.554993946e-01 6.554993946e-01 3.62 6.948361487e-01 6.948361487e-01 3.64 7.242296486e-01 7.242296486e-01 3.66 7.436961365e-01 7.436961365e-01 3.68 7.532708760e-01 7.532708760e-01 3.70 7.530118265e-01 7.530118265e-01 3.72 7.429965736e-01 7.429965736e-01 3.74 7.233194146e-01 7.233194146e-01 3.76 6.940891365e-01 6.940891365e-01 3.78 6.554266108e-01 6.554266108e-01 3.80 6.074631244e-01 6.074631244e-01 3.82 5.503382608e-01 5.503382608e-01 3.84 4.841991095e-01 4.841991095e-01 3.86 4.092127819e-01 4.092127819e-01 3.88 3.256987417e-01 3.256987417e-01 3.90 2.341312500e-01 2.341312500e-01 3.92 1.350947891e-01 1.350947891e-01 3.94 2.922738922e-02 2.922738922e-02 3.96 -8.284609082e-02 -8.284609082e-02 3.98 -2.004467835e-01 -2.004467835e-01 4.00 -3.070660604e-01 -3.070660604e-01 4.02 -3.117306098e-01 -3.117306098e-01 4.04 -1.187920882e-01 -1.187920882e-01 4.06 3.448268153e-01 3.448268153e-01 4.08 1.130095983e+00 1.130095983e+00 4.10 2.266572699e+00 2.266572699e+00 4.12 3.763313777e+00 3.763313777e+00 4.14 5.610027306e+00 5.610027306e+00 4.16 7.778480860e+00 7.778480860e+00 4.18 1.022409308e+01 1.022409308e+01 4.20 1.288785249e+01 1.288785249e+01 4.22 1.569842832e+01 1.569842832e+01 4.24 1.857457091e+01 1.857457091e+01 4.26 2.142786451e+01 2.142786451e+01 4.28 2.416559597e+01 2.416559597e+01 4.30 2.669404074e+01 2.669404074e+01 4.32 2.892187471e+01 2.892187471e+01 4.34 3.076391915e+01 3.076391915e+01 4.36 3.214501684e+01 3.214501684e+01 4.38 3.300385176e+01 3.300385176e+01 4.40 3.329688082e+01 3.329688082e+01 4.42 3.300182037e+01 3.300182037e+01 4.44 3.212065202e+01 3.212065202e+01 4.46 3.068158678e+01 3.068158678e+01 4.48 2.873969509e+01 2.873969509e+01 4.50 2.637564101e+01 2.637564101e+01 4.52 2.369334970e+01 2.369334970e+01 4.54 2.082246817e+01 2.082246817e+01 4.56 1.790307262e+01 1.790307262e+01 4.58 1.506607478e+01 1.506607478e+01 4.60 1.242217919e+01 1.242217919e+01 4.62 1.005388517e+01 1.005388517e+01 4.64 8.011063578e+00 8.011063578e+00 4.66 6.311001954e+00 6.311001954e+00 4.68 4.942713850e+00 4.942713850e+00 4.70 3.874441010e+00 3.874441010e+00 4.72 3.062374649e+00 3.062374649e+00 4.74 2.458763680e+00 2.458763680e+00 4.76 2.017936924e+00 2.017936924e+00 4.78 1.699848175e+00 1.699848175e+00 4.80 1.471365069e+00 1.471365069e+00 4.82 1.306085595e+00 1.306085595e+00 4.84 1.183448495e+00 1.183448495e+00 4.86 1.087720225e+00 1.087720225e+00 4.88 1.007150594e+00 1.007150594e+00 4.90 9.333556282e-01 9.333556282e-01 4.92 8.608564170e-01 8.608564170e-01 4.94 7.866514017e-01 7.866514017e-01 4.96 7.097657715e-01 7.097657715e-01 4.98 6.307294217e-01 6.307294217e-01 5.00 5.510282141e-01 5.510282141e-01 5.02 4.725828890e-01 4.725828890e-01 5.04 3.972508878e-01 3.972508878e-01 5.06 3.261389205e-01 3.261389205e-01 5.08 2.598967199e-01 2.598967199e-01 5.10 1.990635656e-01 1.990635656e-01 5.12 1.440662716e-01 1.440662716e-01 5.14 9.521445546e-02 9.521445546e-02 5.16 5.269760338e-02 5.269760338e-02 5.18 1.657863938e-02 1.657863938e-02 5.20 -1.320935962e-02 -1.320935962e-02 5.22 -3.687201868e-02 -3.687201868e-02 5.24 -5.475780492e-02 -5.475780492e-02 5.26 -6.730009267e-02 -6.730009267e-02 5.28 -7.500636010e-02 -7.500636010e-02 5.30 -7.845793880e-02 -7.845793880e-02 5.32 -7.830170346e-02 -7.830170346e-02 5.34 -7.523127487e-02 -7.523127487e-02 5.36 -6.995916529e-02 -6.995916529e-02 5.38 -6.318258940e-02 -6.318258940e-02 5.40 -5.554773542e-02 -5.554773542e-02 5.42 -4.761747135e-02 -4.761747135e-02 5.44 -3.984895458e-02 -3.984895458e-02 5.46 -3.258230743e-02 -3.258230743e-02 5.48 -2.604291320e-02 -2.604291320e-02 5.50 -2.035289924e-02 -2.035289924e-02 5.52 -1.555000495e-02 -1.555000495e-02 5.54 -1.160864786e-02 -1.160864786e-02 5.56 -8.458811134e-03 -8.458811134e-03 5.58 -6.006478093e-03 -6.006478093e-03 5.60 -4.146126611e-03 -4.146126611e-03 5.62 -2.772590050e-03 -2.772590050e-03 5.64 -1.787312314e-03 -1.787312314e-03 5.66 -1.102438593e-03 -1.102438593e-03 5.68 -6.433926243e-04 -6.433926243e-04 5.70 -3.489491350e-04 -3.489491350e-04 5.72 -1.703927806e-04 -1.703927806e-04 5.74 -7.047663156e-05 -7.047663156e-05 5.76 -2.177784615e-05 -2.177784615e-05 5.78 -3.385517447e-06 -3.385517447e-06 5.80 -1.378478422e-08 -1.378478422e-08 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