# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Ko-W-S-Hur-J-Hwang-J-Y-Chun-Y-B--Cu-Ni-Ti # implementation = 2024--Ko-W-S--Cu-Ni-Ti--LAMMPS--ipr1 # composition = Cu2NiTi # 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 2026-08-31 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 3.761696619e+02 3.761696619e+02 1.00 3.520220397e+02 3.520220397e+02 1.02 3.293205203e+02 3.293205203e+02 1.04 3.079823540e+02 3.079823540e+02 1.06 2.879293551e+02 2.879293551e+02 1.08 2.690876587e+02 2.690876587e+02 1.10 2.513874888e+02 2.513874888e+02 1.12 2.347629398e+02 2.347629398e+02 1.14 2.191517682e+02 2.191517682e+02 1.16 2.044951959e+02 2.044951959e+02 1.18 1.907377235e+02 1.907377235e+02 1.20 1.778269536e+02 1.778269536e+02 1.22 1.657134230e+02 1.657134230e+02 1.24 1.543504437e+02 1.543504437e+02 1.26 1.436939532e+02 1.436939532e+02 1.28 1.337023709e+02 1.337023709e+02 1.30 1.243364639e+02 1.243364639e+02 1.32 1.155592189e+02 1.155592189e+02 1.34 1.073357205e+02 1.073357205e+02 1.36 9.963303738e+01 9.963303738e+01 1.38 9.242011285e+01 9.242011285e+01 1.40 8.566766233e+01 8.566766233e+01 1.42 7.934807593e+01 7.934807593e+01 1.44 7.343532602e+01 7.343532602e+01 1.46 6.790488010e+01 6.790488010e+01 1.48 6.273361809e+01 6.273361809e+01 1.50 5.789975398e+01 5.789975398e+01 1.52 5.338276197e+01 5.338276197e+01 1.54 4.916330627e+01 4.916330627e+01 1.56 4.522317479e+01 4.522317479e+01 1.58 4.154521654e+01 4.154521654e+01 1.60 3.811328211e+01 3.811328211e+01 1.62 3.491216759e+01 3.491216759e+01 1.64 3.192756152e+01 3.192756152e+01 1.66 2.914599454e+01 2.914599454e+01 1.68 2.655479197e+01 2.655479197e+01 1.70 2.414202890e+01 2.414202890e+01 1.72 2.189648761e+01 2.189648761e+01 1.74 1.980761757e+01 1.980761757e+01 1.76 1.786549735e+01 1.786549735e+01 1.78 1.606079879e+01 1.606079879e+01 1.80 1.438475310e+01 1.438475310e+01 1.82 1.282911880e+01 1.282911880e+01 1.84 1.138615144e+01 1.138615144e+01 1.86 1.004857499e+01 1.004857499e+01 1.88 8.809554815e+00 8.809554815e+00 1.90 7.662672146e+00 7.662672146e+00 1.92 6.601899977e+00 6.601899977e+00 1.94 5.621580265e+00 5.621580265e+00 1.96 4.716402473e+00 4.716402473e+00 1.98 3.881383241e+00 3.881383241e+00 2.00 3.111847220e+00 3.111847220e+00 2.02 2.403409016e+00 2.403409016e+00 2.04 1.751956083e+00 1.751956083e+00 2.06 1.153632635e+00 1.153632635e+00 2.08 6.048244537e-01 6.048244537e-01 2.10 1.021445250e-01 1.021445250e-01 2.12 -3.575804618e-01 -3.575804618e-01 2.14 -7.773228740e-01 -7.773228740e-01 2.16 -1.159866179e+00 -1.159866179e+00 2.18 -1.507816265e+00 -1.507816265e+00 2.20 -1.823612142e+00 -1.823612142e+00 2.22 -2.109536028e+00 -2.109536028e+00 2.24 -2.367722826e+00 -2.367722826e+00 2.26 -2.600169095e+00 -2.600169095e+00 2.28 -2.808741472e+00 -2.808741472e+00 2.30 -2.995184608e+00 -2.995184608e+00 2.32 -3.161128668e+00 -3.161128668e+00 2.34 -3.308096360e+00 -3.308096360e+00 2.36 -3.437509571e+00 -3.437509571e+00 2.38 -3.550695621e+00 -3.550695621e+00 2.40 -3.648893130e+00 -3.648893130e+00 2.42 -3.733257552e+00 -3.733257552e+00 2.44 -3.804866386e+00 -3.804866386e+00 2.46 -3.864724060e+00 -3.864724060e+00 2.48 -3.913766547e+00 -3.913766547e+00 2.50 -3.952865693e+00 -3.952865693e+00 2.52 -3.982833281e+00 -3.982833281e+00 2.54 -4.004424870e+00 -4.004424870e+00 2.56 -4.018343384e+00 -4.018343384e+00 2.58 -4.025242494e+00 -4.025242494e+00 2.60 -4.025729800e+00 -4.025729800e+00 2.62 -4.020369803e+00 -4.020369803e+00 2.64 -4.009686716e+00 -4.009686716e+00 2.66 -3.994167088e+00 -3.994167088e+00 2.68 -3.974262278e+00 -3.974262278e+00 2.70 -3.950390767e+00 -3.950390767e+00 2.72 -3.922940335e+00 -3.922940335e+00 2.74 -3.892270100e+00 -3.892270100e+00 2.76 -3.858712433e+00 -3.858712433e+00 2.78 -3.822574746e+00 -3.822574746e+00 2.80 -3.784141176e+00 -3.784141176e+00 2.82 -3.743674165e+00 -3.743674165e+00 2.84 -3.701415928e+00 -3.701415928e+00 2.86 -3.657589842e+00 -3.657589842e+00 2.88 -3.612401740e+00 -3.612401740e+00 2.90 -3.566041120e+00 -3.566041120e+00 2.92 -3.518682283e+00 -3.518682283e+00 2.94 -3.470485396e+00 -3.470485396e+00 2.96 -3.421597480e+00 -3.421597480e+00 2.98 -3.372153345e+00 -3.372153345e+00 3.00 -3.322276455e+00 -3.322276455e+00 3.02 -3.272345526e+00 -3.272345526e+00 3.04 -3.225792114e+00 -3.225792114e+00 3.06 -3.183985429e+00 -3.183985429e+00 3.08 -3.133473345e+00 -3.133473345e+00 3.10 -3.082822997e+00 -3.082822997e+00 3.12 -3.032280218e+00 -3.032280218e+00 3.14 -2.981909284e+00 -2.981909284e+00 3.16 -2.931768292e+00 -2.931768292e+00 3.18 -2.881909626e+00 -2.881909626e+00 3.20 -2.832380392e+00 -2.832380392e+00 3.22 -2.783222822e+00 -2.783222822e+00 3.24 -2.734474657e+00 -2.734474657e+00 3.26 -2.686169488e+00 -2.686169488e+00 3.28 -2.638337094e+00 -2.638337094e+00 3.30 -2.591003738e+00 -2.591003738e+00 3.32 -2.544192450e+00 -2.544192450e+00 3.34 -2.497923295e+00 -2.497923295e+00 3.36 -2.452213611e+00 -2.452213611e+00 3.38 -2.407078238e+00 -2.407078238e+00 3.40 -2.362529726e+00 -2.362529726e+00 3.42 -2.318578532e+00 -2.318578532e+00 3.44 -2.275233198e+00 -2.275233198e+00 3.46 -2.232500521e+00 -2.232500521e+00 3.48 -2.190385706e+00 -2.190385706e+00 3.50 -2.148892507e+00 -2.148892507e+00 3.52 -2.108023364e+00 -2.108023364e+00 3.54 -2.067779523e+00 -2.067779523e+00 3.56 -2.028161147e+00 -2.028161147e+00 3.58 -1.989167424e+00 -1.989167424e+00 3.60 -1.950796662e+00 -1.950796662e+00 3.62 -1.913046376e+00 -1.913046376e+00 3.64 -1.875913370e+00 -1.875913370e+00 3.66 -1.839393815e+00 -1.839393815e+00 3.68 -1.803483313e+00 -1.803483313e+00 3.70 -1.768176967e+00 -1.768176967e+00 3.72 -1.733469433e+00 -1.733469433e+00 3.74 -1.699354976e+00 -1.699354976e+00 3.76 -1.665827519e+00 -1.665827519e+00 3.78 -1.632880689e+00 -1.632880689e+00 3.80 -1.600507853e+00 -1.600507853e+00 3.82 -1.568702163e+00 -1.568702163e+00 3.84 -1.537456580e+00 -1.537456580e+00 3.86 -1.506763916e+00 -1.506763916e+00 3.88 -1.476616854e+00 -1.476616854e+00 3.90 -1.447007976e+00 -1.447007976e+00 3.92 -1.417929786e+00 -1.417929786e+00 3.94 -1.389374733e+00 -1.389374733e+00 3.96 -1.361335226e+00 -1.361335226e+00 3.98 -1.333803654e+00 -1.333803654e+00 4.00 -1.306772400e+00 -1.306772400e+00 4.02 -1.280233855e+00 -1.280233855e+00 4.04 -1.254180431e+00 -1.254180431e+00 4.06 -1.228604570e+00 -1.228604570e+00 4.08 -1.203498755e+00 -1.203498755e+00 4.10 -1.178855517e+00 -1.178855517e+00 4.12 -1.154667447e+00 -1.154667447e+00 4.14 -1.130927196e+00 -1.130927196e+00 4.16 -1.107627486e+00 -1.107627486e+00 4.18 -1.084761113e+00 -1.084761113e+00 4.20 -1.062320951e+00 -1.062320951e+00 4.22 -1.040299955e+00 -1.040299955e+00 4.24 -1.018691166e+00 -1.018691166e+00 4.26 -9.972444988e-01 -9.972444988e-01 4.28 -9.710373682e-01 -9.710373682e-01 4.30 -9.253960414e-01 -9.253960414e-01 4.32 -8.489902210e-01 -8.489902210e-01 4.34 -8.125789377e-01 -8.125789377e-01 4.36 -7.964019454e-01 -7.964019454e-01 4.38 -7.805172783e-01 -7.805172783e-01 4.40 -7.649200840e-01 -7.649200840e-01 4.42 -7.496055886e-01 -7.496055886e-01 4.44 -7.345690957e-01 -7.345690957e-01 4.46 -7.198059863e-01 -7.198059863e-01 4.48 -7.053117174e-01 -7.053117174e-01 4.50 -6.910818216e-01 -6.910818216e-01 4.52 -6.771119061e-01 -6.771119061e-01 4.54 -6.633976513e-01 -6.633976513e-01 4.56 -6.499348098e-01 -6.499348098e-01 4.58 -6.367192056e-01 -6.367192056e-01 4.60 -6.237467324e-01 -6.237467324e-01 4.62 -6.110133524e-01 -6.110133524e-01 4.64 -5.985150956e-01 -5.985150956e-01 4.66 -5.862480578e-01 -5.862480578e-01 4.68 -5.742083997e-01 -5.742083997e-01 4.70 -5.623923454e-01 -5.623923454e-01 4.72 -5.507961815e-01 -5.507961815e-01 4.74 -5.394162555e-01 -5.394162555e-01 4.76 -5.282489745e-01 -5.282489745e-01 4.78 -5.172908040e-01 -5.172908040e-01 4.80 -5.065382669e-01 -5.065382669e-01 4.82 -4.959879421e-01 -4.959879421e-01 4.84 -4.856364631e-01 -4.856364631e-01 4.86 -4.754805172e-01 -4.754805172e-01 4.88 -4.655168444e-01 -4.655168444e-01 4.90 -4.557422357e-01 -4.557422357e-01 4.92 -4.453051688e-01 -4.453051688e-01 4.94 -4.234318772e-01 -4.234318772e-01 4.96 -3.606285247e-01 -3.606285247e-01 4.98 -2.088950845e-01 -2.088950845e-01 5.00 -1.966140240e-22 -1.963704164e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 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